NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
460303 |
1x5l   |
11208 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x5l
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 2037
_Distance_constraint_stats_list.Viol_count 867
_Distance_constraint_stats_list.Viol_total 555.577
_Distance_constraint_stats_list.Viol_max 0.897
_Distance_constraint_stats_list.Viol_rms 0.0126
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0320
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLY 0.024 0.019 7 0 "[ . 1 . 2]"
1 8 GLN 0.002 0.002 9 0 "[ . 1 . 2]"
1 9 ALA 0.006 0.005 6 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 PRO 0.148 0.038 17 0 "[ . 1 . 2]"
1 12 SER 0.321 0.082 18 0 "[ . 1 . 2]"
1 13 GLN 0.436 0.216 18 0 "[ . 1 . 2]"
1 14 VAL 0.631 0.108 20 0 "[ . 1 . 2]"
1 15 VAL 0.470 0.216 18 0 "[ . 1 . 2]"
1 16 VAL 0.440 0.153 16 0 "[ . 1 . 2]"
1 17 ILE 0.724 0.057 15 0 "[ . 1 . 2]"
1 18 ARG 0.092 0.035 16 0 "[ . 1 . 2]"
1 19 GLN 0.154 0.035 16 0 "[ . 1 . 2]"
1 20 GLU 1.017 0.236 14 0 "[ . 1 . 2]"
1 21 ARG 0.358 0.099 15 0 "[ . 1 . 2]"
1 22 ALA 0.238 0.099 15 0 "[ . 1 . 2]"
1 23 GLY 0.267 0.069 19 0 "[ . 1 . 2]"
1 24 GLN 0.720 0.161 20 0 "[ . 1 . 2]"
1 25 THR 0.236 0.075 11 0 "[ . 1 . 2]"
1 26 SER 0.964 0.161 20 0 "[ . 1 . 2]"
1 27 VAL 1.565 0.251 17 0 "[ . 1 . 2]"
1 28 SER 0.990 0.251 17 0 "[ . 1 . 2]"
1 29 LEU 0.558 0.078 11 0 "[ . 1 . 2]"
1 30 LEU 2.499 0.236 14 0 "[ . 1 . 2]"
1 31 TRP 2.184 0.159 8 0 "[ . 1 . 2]"
1 32 GLN 0.591 0.165 1 0 "[ . 1 . 2]"
1 33 GLU 0.000 0.000 4 0 "[ . 1 . 2]"
1 34 PRO 0.057 0.023 16 0 "[ . 1 . 2]"
1 35 GLU 0.243 0.164 11 0 "[ . 1 . 2]"
1 36 GLN 0.470 0.164 11 0 "[ . 1 . 2]"
1 37 PRO 0.325 0.085 11 0 "[ . 1 . 2]"
1 38 ASN 0.074 0.038 17 0 "[ . 1 . 2]"
1 39 GLY 0.149 0.076 15 0 "[ . 1 . 2]"
1 40 ILE 0.768 0.084 15 0 "[ . 1 . 2]"
1 41 ILE 0.394 0.084 15 0 "[ . 1 . 2]"
1 42 LEU 0.083 0.019 12 0 "[ . 1 . 2]"
1 43 GLU 0.087 0.012 20 0 "[ . 1 . 2]"
1 44 TYR 6.864 0.897 7 5 "[ ** + * .* 2]"
1 45 GLU 0.329 0.093 3 0 "[ . 1 . 2]"
1 46 ILE 0.405 0.056 7 0 "[ . 1 . 2]"
1 47 LYS 0.079 0.052 20 0 "[ . 1 . 2]"
1 48 TYR 0.138 0.045 16 0 "[ . 1 . 2]"
1 49 TYR 1.249 0.085 7 0 "[ . 1 . 2]"
1 50 GLU 0.437 0.082 7 0 "[ . 1 . 2]"
1 51 LYS 0.508 0.076 7 0 "[ . 1 . 2]"
1 52 ASP 0.354 0.076 7 0 "[ . 1 . 2]"
1 53 LYS 0.208 0.039 19 0 "[ . 1 . 2]"
1 54 GLU 0.327 0.085 7 0 "[ . 1 . 2]"
1 55 MET 0.456 0.069 5 0 "[ . 1 . 2]"
1 56 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 TYR 0.139 0.054 6 0 "[ . 1 . 2]"
1 59 SER 0.018 0.014 19 0 "[ . 1 . 2]"
1 60 THR 0.047 0.022 16 0 "[ . 1 . 2]"
1 61 LEU 0.157 0.023 6 0 "[ . 1 . 2]"
1 62 LYS 0.129 0.040 2 0 "[ . 1 . 2]"
1 63 ALA 0.358 0.081 15 0 "[ . 1 . 2]"
1 64 VAL 0.402 0.032 8 0 "[ . 1 . 2]"
1 65 THR 0.608 0.244 15 0 "[ . 1 . 2]"
1 66 THR 0.706 0.244 15 0 "[ . 1 . 2]"
1 67 ARG 1.013 0.089 11 0 "[ . 1 . 2]"
1 68 ALA 0.324 0.051 18 0 "[ . 1 . 2]"
1 69 THR 0.238 0.061 17 0 "[ . 1 . 2]"
1 70 VAL 0.603 0.157 12 0 "[ . 1 . 2]"
1 71 SER 0.090 0.025 12 0 "[ . 1 . 2]"
1 72 GLY 0.042 0.025 12 0 "[ . 1 . 2]"
1 73 LEU 0.129 0.042 17 0 "[ . 1 . 2]"
1 74 LYS 0.458 0.117 10 0 "[ . 1 . 2]"
1 75 PRO 0.338 0.042 15 0 "[ . 1 . 2]"
1 76 GLY 0.054 0.015 19 0 "[ . 1 . 2]"
1 77 THR 1.837 0.097 8 0 "[ . 1 . 2]"
1 78 ARG 1.893 0.097 8 0 "[ . 1 . 2]"
1 79 TYR 0.103 0.028 17 0 "[ . 1 . 2]"
1 80 VAL 0.504 0.040 20 0 "[ . 1 . 2]"
1 81 PHE 0.766 0.149 12 0 "[ . 1 . 2]"
1 82 GLN 0.308 0.063 16 0 "[ . 1 . 2]"
1 83 VAL 4.270 0.897 7 5 "[ -* + * .* 2]"
1 84 ARG 0.266 0.093 3 0 "[ . 1 . 2]"
1 85 ALA 0.178 0.031 12 0 "[ . 1 . 2]"
1 86 ARG 0.003 0.002 15 0 "[ . 1 . 2]"
1 87 THR 0.092 0.025 17 0 "[ . 1 . 2]"
1 88 SER 0.080 0.019 12 0 "[ . 1 . 2]"
1 89 ALA 0.026 0.019 7 0 "[ . 1 . 2]"
1 90 GLY 0.029 0.017 17 0 "[ . 1 . 2]"
1 91 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLY 0.047 0.012 20 0 "[ . 1 . 2]"
1 93 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 PHE 0.213 0.024 16 0 "[ . 1 . 2]"
1 95 SER 1.240 0.312 14 0 "[ . 1 . 2]"
1 96 GLN 1.487 0.312 14 0 "[ . 1 . 2]"
1 97 ALA 0.460 0.115 16 0 "[ . 1 . 2]"
1 98 MET 0.195 0.029 13 0 "[ . 1 . 2]"
1 99 GLU 0.226 0.040 20 0 "[ . 1 . 2]"
1 100 VAL 0.135 0.017 16 0 "[ . 1 . 2]"
1 101 GLU 0.081 0.017 16 0 "[ . 1 . 2]"
1 102 THR 0.409 0.041 15 0 "[ . 1 . 2]"
1 103 GLY 0.053 0.014 15 0 "[ . 1 . 2]"
1 104 LYS 0.331 0.054 3 0 "[ . 1 . 2]"
1 105 PRO 0.060 0.029 19 0 "[ . 1 . 2]"
1 106 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 32 GLN HB2 1 33 GLU H . . 4.550 2.652 2.300 3.764 . 0 0 "[ . 1 . 2]" 1
2 1 44 TYR H 1 63 ALA H . . 3.730 3.105 2.553 3.540 . 0 0 "[ . 1 . 2]" 1
3 1 62 LYS HA 1 63 ALA H . . 3.050 2.167 2.140 2.245 . 0 0 "[ . 1 . 2]" 1
4 1 84 ARG H 1 84 ARG HG3 . . 4.630 3.138 2.286 4.070 . 0 0 "[ . 1 . 2]" 1
5 1 83 VAL QG 1 84 ARG H . . 3.580 2.028 1.866 2.185 . 0 0 "[ . 1 . 2]" 1
6 1 17 ILE H 1 17 ILE MG . . 3.970 3.820 3.704 3.898 . 0 0 "[ . 1 . 2]" 1
7 1 18 ARG H 1 18 ARG HB2 . . 4.120 2.905 2.781 3.622 . 0 0 "[ . 1 . 2]" 1
8 1 18 ARG H 1 18 ARG HB3 . . 4.120 3.870 3.634 3.920 . 0 0 "[ . 1 . 2]" 1
9 1 31 TRP HE1 1 44 TYR HD2 . . 3.860 3.242 2.825 3.541 . 0 0 "[ . 1 . 2]" 1
10 1 31 TRP HE1 1 83 VAL QG . . 4.300 3.206 2.995 3.397 . 0 0 "[ . 1 . 2]" 1
11 1 15 VAL H 1 16 VAL H . . 3.850 2.369 2.207 2.663 . 0 0 "[ . 1 . 2]" 1
12 1 9 ALA MB 1 10 ALA H . . 3.270 2.731 2.322 3.179 . 0 0 "[ . 1 . 2]" 1
13 1 10 ALA H 1 10 ALA MB . . 2.970 2.139 2.026 2.279 . 0 0 "[ . 1 . 2]" 1
14 1 62 LYS H 1 62 LYS HB2 . . 3.700 2.391 2.263 2.536 . 0 0 "[ . 1 . 2]" 1
15 1 61 LEU HG 1 62 LYS H . . 3.230 2.643 1.948 3.108 . 0 0 "[ . 1 . 2]" 1
16 1 81 PHE QD 1 100 VAL H . . 4.170 3.885 3.403 4.167 . 0 0 "[ . 1 . 2]" 1
17 1 81 PHE QE 1 100 VAL H . . 4.370 4.203 3.769 4.382 0.012 20 0 "[ . 1 . 2]" 1
18 1 99 GLU HA 1 100 VAL H . . 2.740 2.145 2.142 2.155 . 0 0 "[ . 1 . 2]" 1
19 1 100 VAL H 1 100 VAL HB . . 3.410 2.824 2.742 2.951 . 0 0 "[ . 1 . 2]" 1
20 1 99 GLU HB3 1 100 VAL H . . 3.780 3.379 3.252 3.437 . 0 0 "[ . 1 . 2]" 1
21 1 47 LYS HG2 1 48 TYR H . . 4.440 3.465 3.191 3.898 . 0 0 "[ . 1 . 2]" 1
22 1 49 TYR HB3 1 50 GLU H . . 4.090 3.850 3.668 3.964 . 0 0 "[ . 1 . 2]" 1
23 1 49 TYR HB2 1 50 GLU H . . 3.490 2.495 2.269 2.659 . 0 0 "[ . 1 . 2]" 1
24 1 50 GLU H 1 50 GLU HB2 . . 3.360 2.195 2.142 2.230 . 0 0 "[ . 1 . 2]" 1
25 1 18 ARG H 1 30 LEU H . . 4.040 2.565 2.245 3.025 . 0 0 "[ . 1 . 2]" 1
26 1 19 GLN HA 1 30 LEU H . . 4.290 3.684 3.271 4.143 . 0 0 "[ . 1 . 2]" 1
27 1 29 LEU HB2 1 30 LEU H . . 4.170 3.825 3.322 4.164 . 0 0 "[ . 1 . 2]" 1
28 1 29 LEU HB3 1 30 LEU H . . 3.550 2.710 2.172 3.140 . 0 0 "[ . 1 . 2]" 1
29 1 30 LEU H 1 30 LEU MD2 . . 4.800 4.250 3.786 4.817 0.017 16 0 "[ . 1 . 2]" 1
30 1 87 THR HG1 1 89 ALA H . . 3.980 3.212 2.682 3.875 . 0 0 "[ . 1 . 2]" 1
31 1 89 ALA H 1 89 ALA MB . . 3.110 2.126 2.026 2.236 . 0 0 "[ . 1 . 2]" 1
32 1 49 TYR QD 1 50 GLU H . . 4.130 2.996 2.624 3.283 . 0 0 "[ . 1 . 2]" 1
33 1 50 GLU H 1 50 GLU HG3 . . 3.600 2.978 2.860 3.176 . 0 0 "[ . 1 . 2]" 1
34 1 27 VAL HA 1 28 SER H . . 2.870 2.202 2.153 2.342 . 0 0 "[ . 1 . 2]" 1
35 1 28 SER H 1 28 SER HB3 . . 3.440 2.535 2.351 2.714 . 0 0 "[ . 1 . 2]" 1
36 1 21 ARG HB2 1 28 SER H . . 4.320 4.095 3.149 4.348 0.028 16 0 "[ . 1 . 2]" 1
37 1 27 VAL HB 1 28 SER H . . 4.180 4.054 3.724 4.194 0.014 7 0 "[ . 1 . 2]" 1
38 1 27 VAL MG2 1 28 SER H . . 3.980 3.686 1.817 3.994 0.014 2 0 "[ . 1 . 2]" 1
39 1 70 VAL HA 1 71 SER H . . 2.670 2.153 2.140 2.179 . 0 0 "[ . 1 . 2]" 1
40 1 61 LEU MD2 1 71 SER H . . 4.080 3.755 3.276 4.081 0.001 10 0 "[ . 1 . 2]" 1
41 1 70 VAL MG2 1 71 SER H . . 4.230 4.125 4.043 4.221 . 0 0 "[ . 1 . 2]" 1
42 1 70 VAL MG1 1 71 SER H . . 3.400 2.937 2.546 3.210 . 0 0 "[ . 1 . 2]" 1
43 1 73 LEU MD2 1 74 LYS H . . 3.800 3.539 3.372 3.710 . 0 0 "[ . 1 . 2]" 1
44 1 74 LYS H 1 79 TYR QE . . 3.640 2.254 1.924 2.663 . 0 0 "[ . 1 . 2]" 1
45 1 74 LYS H 1 74 LYS QB . . 3.250 2.310 2.160 2.448 . 0 0 "[ . 1 . 2]" 1
46 1 74 LYS H 1 74 LYS HG3 . . 3.670 3.083 2.839 3.305 . 0 0 "[ . 1 . 2]" 1
47 1 74 LYS H 1 74 LYS HG2 . . 4.330 4.268 4.058 4.348 0.018 13 0 "[ . 1 . 2]" 1
48 1 73 LEU HB3 1 74 LYS H . . 3.620 2.223 2.115 2.418 . 0 0 "[ . 1 . 2]" 1
49 1 73 LEU HB2 1 74 LYS H . . 3.970 3.212 3.005 3.456 . 0 0 "[ . 1 . 2]" 1
50 1 35 GLU H 1 36 GLN H . . 3.980 3.112 2.607 4.144 0.164 11 0 "[ . 1 . 2]" 1
51 1 35 GLU H 1 35 GLU HB3 . . 3.780 3.560 2.676 3.631 . 0 0 "[ . 1 . 2]" 1
52 1 35 GLU H 1 35 GLU HB2 . . 3.780 2.723 2.441 3.632 . 0 0 "[ . 1 . 2]" 1
53 1 44 TYR HB3 1 45 GLU H . . 3.980 3.282 2.633 3.701 . 0 0 "[ . 1 . 2]" 1
54 1 30 LEU HA 1 31 TRP H . . 3.180 2.147 2.139 2.178 . 0 0 "[ . 1 . 2]" 1
55 1 30 LEU QB 1 31 TRP H . . 3.870 3.575 3.274 3.898 0.028 19 0 "[ . 1 . 2]" 1
56 1 81 PHE H 1 98 MET H . . 3.790 3.678 3.234 3.819 0.029 13 0 "[ . 1 . 2]" 1
57 1 81 PHE H 1 81 PHE QD . . 3.580 2.613 2.168 2.859 . 0 0 "[ . 1 . 2]" 1
58 1 81 PHE H 1 99 GLU HA . . 4.350 3.949 3.462 4.256 . 0 0 "[ . 1 . 2]" 1
59 1 80 VAL HA 1 81 PHE H . . 2.910 2.155 2.140 2.179 . 0 0 "[ . 1 . 2]" 1
60 1 81 PHE H 1 81 PHE HB2 . . 3.600 2.433 2.372 2.549 . 0 0 "[ . 1 . 2]" 1
61 1 81 PHE H 1 81 PHE HB3 . . 3.940 3.635 3.603 3.682 . 0 0 "[ . 1 . 2]" 1
62 1 25 THR H 1 25 THR MG . . 3.860 2.662 2.168 2.925 . 0 0 "[ . 1 . 2]" 1
63 1 24 GLN QB 1 25 THR H . . 3.820 2.449 2.147 3.375 . 0 0 "[ . 1 . 2]" 1
64 1 19 GLN H 1 19 GLN HG2 . . 4.870 4.334 4.279 4.541 . 0 0 "[ . 1 . 2]" 1
65 1 19 GLN H 1 19 GLN HB2 . . 3.740 3.040 2.787 3.207 . 0 0 "[ . 1 . 2]" 1
66 1 19 GLN H 1 19 GLN HB3 . . 3.440 2.494 2.374 2.698 . 0 0 "[ . 1 . 2]" 1
67 1 18 ARG HB3 1 19 GLN H . . 3.930 2.534 2.237 3.245 . 0 0 "[ . 1 . 2]" 1
68 1 79 TYR HA 1 80 VAL H . . 3.060 2.224 2.153 2.380 . 0 0 "[ . 1 . 2]" 1
69 1 80 VAL H 1 80 VAL MG1 . . 3.880 3.826 3.785 3.911 0.031 5 0 "[ . 1 . 2]" 1
70 1 80 VAL H 1 80 VAL HB . . 3.360 2.595 2.502 2.781 . 0 0 "[ . 1 . 2]" 1
71 1 40 ILE H 1 40 ILE HB . . 3.280 2.488 2.359 2.539 . 0 0 "[ . 1 . 2]" 1
72 1 95 SER HB2 1 96 GLN H . . 4.400 2.816 2.083 3.977 . 0 0 "[ . 1 . 2]" 1
73 1 53 LYS H 1 54 GLU H . . 4.360 3.840 2.385 4.391 0.031 7 0 "[ . 1 . 2]" 1
74 1 50 GLU HB2 1 53 LYS H . . 4.290 3.317 2.958 3.746 . 0 0 "[ . 1 . 2]" 1
75 1 53 LYS H 1 53 LYS HG2 . . 4.270 2.450 1.889 3.090 . 0 0 "[ . 1 . 2]" 1
76 1 73 LEU H 1 73 LEU HB3 . . 3.850 3.745 3.699 3.836 . 0 0 "[ . 1 . 2]" 1
77 1 73 LEU H 1 73 LEU HG . . 3.220 2.611 2.507 2.701 . 0 0 "[ . 1 . 2]" 1
78 1 73 LEU H 1 73 LEU HB2 . . 3.640 2.664 2.569 2.861 . 0 0 "[ . 1 . 2]" 1
79 1 25 THR HA 1 73 LEU H . . 3.850 3.290 2.595 3.803 . 0 0 "[ . 1 . 2]" 1
80 1 103 GLY HA2 1 104 LYS H . . 2.840 2.147 2.138 2.173 . 0 0 "[ . 1 . 2]" 1
81 1 104 LYS H 1 104 LYS HB2 . . 2.980 2.306 2.186 2.431 . 0 0 "[ . 1 . 2]" 1
82 1 104 LYS H 1 104 LYS HG2 . . 3.880 3.439 2.737 3.934 0.054 3 0 "[ . 1 . 2]" 1
83 1 104 LYS H 1 104 LYS HG3 . . 3.880 2.951 2.468 3.715 . 0 0 "[ . 1 . 2]" 1
84 1 29 LEU H 1 68 ALA H . . 3.740 3.365 2.808 3.743 0.003 16 0 "[ . 1 . 2]" 1
85 1 31 TRP HZ3 1 68 ALA H . . 3.790 2.931 2.596 3.431 . 0 0 "[ . 1 . 2]" 1
86 1 29 LEU HB2 1 68 ALA H . . 4.040 3.863 3.329 4.068 0.028 15 0 "[ . 1 . 2]" 1
87 1 68 ALA H 1 68 ALA MB . . 3.320 2.639 2.501 2.735 . 0 0 "[ . 1 . 2]" 1
88 1 65 THR MG 1 68 ALA H . . 5.350 4.634 4.404 4.871 . 0 0 "[ . 1 . 2]" 1
89 1 67 ARG HA 1 68 ALA H . . 2.900 2.152 2.139 2.210 . 0 0 "[ . 1 . 2]" 1
90 1 27 VAL H 1 73 LEU MD1 . . 3.900 3.182 2.607 3.875 . 0 0 "[ . 1 . 2]" 1
91 1 27 VAL H 1 27 VAL HB . . 3.750 2.955 2.697 3.588 . 0 0 "[ . 1 . 2]" 1
92 1 82 GLN H 1 82 GLN HB2 . . 4.030 2.828 2.757 2.898 . 0 0 "[ . 1 . 2]" 1
93 1 47 LYS H 1 82 GLN H . . 4.020 2.816 2.419 3.303 . 0 0 "[ . 1 . 2]" 1
94 1 81 PHE HB3 1 82 GLN H . . 3.900 2.734 2.594 2.897 . 0 0 "[ . 1 . 2]" 1
95 1 58 TYR HB2 1 59 SER H . . 4.260 2.789 2.646 3.158 . 0 0 "[ . 1 . 2]" 1
96 1 12 SER HG 1 13 GLN H . . 4.400 3.698 2.853 4.409 0.009 4 0 "[ . 1 . 2]" 1
97 1 51 LYS H 1 52 ASP H . . 4.190 2.935 2.516 3.095 . 0 0 "[ . 1 . 2]" 1
98 1 52 ASP H 1 53 LYS H . . 3.830 2.573 2.482 2.719 . 0 0 "[ . 1 . 2]" 1
99 1 51 LYS HB2 1 52 ASP H . . 4.250 3.925 3.828 4.219 . 0 0 "[ . 1 . 2]" 1
100 1 51 LYS HG3 1 52 ASP H . . 4.010 3.028 2.107 3.332 . 0 0 "[ . 1 . 2]" 1
101 1 51 LYS HB3 1 52 ASP H . . 4.240 2.627 2.402 3.744 . 0 0 "[ . 1 . 2]" 1
102 1 77 THR H 1 102 THR H . . 3.470 3.066 2.742 3.471 0.001 12 0 "[ . 1 . 2]" 1
103 1 102 THR H 1 102 THR HG1 . . 3.910 2.606 1.899 3.389 . 0 0 "[ . 1 . 2]" 1
104 1 101 GLU HA 1 102 THR H . . 2.880 2.198 2.138 2.281 . 0 0 "[ . 1 . 2]" 1
105 1 101 GLU HB3 1 102 THR H . . 4.100 3.794 3.515 4.098 . 0 0 "[ . 1 . 2]" 1
106 1 102 THR H 1 102 THR MG . . 3.410 2.572 2.298 2.821 . 0 0 "[ . 1 . 2]" 1
107 1 86 ARG HG2 1 87 THR H . . 4.270 3.419 2.382 4.272 0.002 15 0 "[ . 1 . 2]" 1
108 1 86 ARG HG3 1 87 THR H . . 4.270 3.263 2.671 4.190 . 0 0 "[ . 1 . 2]" 1
109 1 44 TYR H 1 44 TYR HB2 . . 3.750 2.382 2.318 2.508 . 0 0 "[ . 1 . 2]" 1
110 1 43 GLU HB2 1 44 TYR H . . 4.010 2.420 2.189 2.631 . 0 0 "[ . 1 . 2]" 1
111 1 43 GLU HB3 1 44 TYR H . . 4.010 3.743 3.635 3.867 . 0 0 "[ . 1 . 2]" 1
112 1 44 TYR H 1 64 VAL HA . . 4.030 3.555 3.289 3.791 . 0 0 "[ . 1 . 2]" 1
113 1 76 GLY H 1 77 THR H . . 3.590 2.923 2.802 3.056 . 0 0 "[ . 1 . 2]" 1
114 1 77 THR H 1 102 THR HG1 . . 3.260 2.337 1.905 3.013 . 0 0 "[ . 1 . 2]" 1
115 1 75 PRO HA 1 77 THR H . . 4.000 3.786 3.624 4.024 0.024 12 0 "[ . 1 . 2]" 1
116 1 77 THR H 1 77 THR HB . . 3.450 2.895 2.780 2.987 . 0 0 "[ . 1 . 2]" 1
117 1 77 THR H 1 102 THR MG . . 4.250 3.920 3.573 4.152 . 0 0 "[ . 1 . 2]" 1
118 1 55 MET H 1 55 MET HB3 . . 4.160 3.363 2.378 4.101 . 0 0 "[ . 1 . 2]" 1
119 1 20 GLU HB2 1 21 ARG H . . 4.300 2.580 2.392 2.878 . 0 0 "[ . 1 . 2]" 1
120 1 20 GLU H 1 21 ARG H . . 3.560 2.704 2.317 2.967 . 0 0 "[ . 1 . 2]" 1
121 1 21 ARG H 1 28 SER HB3 . . 3.990 1.944 1.878 2.303 . 0 0 "[ . 1 . 2]" 1
122 1 66 THR H 1 67 ARG H . . 3.410 2.721 2.654 2.795 . 0 0 "[ . 1 . 2]" 1
123 1 65 THR HB 1 67 ARG H . . 4.220 4.034 3.974 4.101 . 0 0 "[ . 1 . 2]" 1
124 1 67 ARG H 1 67 ARG QD . . 4.550 4.094 2.508 4.557 0.007 16 0 "[ . 1 . 2]" 1
125 1 66 THR HA 1 67 ARG H . . 3.270 3.166 3.073 3.312 0.042 15 0 "[ . 1 . 2]" 1
126 1 63 ALA MB 1 67 ARG H . . 4.200 4.127 3.981 4.281 0.081 15 0 "[ . 1 . 2]" 1
127 1 67 ARG H 1 67 ARG HB2 . . 4.090 2.794 2.428 3.021 . 0 0 "[ . 1 . 2]" 1
128 1 67 ARG H 1 67 ARG HB3 . . 4.090 3.842 3.644 3.949 . 0 0 "[ . 1 . 2]" 1
129 1 65 THR MG 1 67 ARG H . . 3.130 2.051 1.860 2.354 . 0 0 "[ . 1 . 2]" 1
130 1 66 THR MG 1 67 ARG H . . 4.550 4.303 4.186 4.375 . 0 0 "[ . 1 . 2]" 1
131 1 31 TRP HB2 1 32 GLN H . . 4.470 2.943 2.238 3.292 . 0 0 "[ . 1 . 2]" 1
132 1 31 TRP HB3 1 32 GLN H . . 4.470 4.091 3.686 4.297 . 0 0 "[ . 1 . 2]" 1
133 1 64 VAL H 1 64 VAL HB . . 4.040 3.642 3.626 3.668 . 0 0 "[ . 1 . 2]" 1
134 1 35 GLU HB3 1 36 GLN H . . 4.250 3.396 2.981 4.057 . 0 0 "[ . 1 . 2]" 1
135 1 76 GLY H 1 102 THR HB . . 4.010 3.778 3.265 4.014 0.004 14 0 "[ . 1 . 2]" 1
136 1 76 GLY H 1 104 LYS H . . 4.220 4.010 3.657 4.235 0.015 19 0 "[ . 1 . 2]" 1
137 1 76 GLY H 1 102 THR HG1 . . 3.650 3.233 2.853 3.648 . 0 0 "[ . 1 . 2]" 1
138 1 75 PRO HA 1 76 GLY H . . 3.140 2.283 2.178 2.365 . 0 0 "[ . 1 . 2]" 1
139 1 75 PRO HB2 1 76 GLY H . . 3.800 2.971 2.718 3.371 . 0 0 "[ . 1 . 2]" 1
140 1 75 PRO HB3 1 76 GLY H . . 3.880 3.654 3.510 3.894 0.014 12 0 "[ . 1 . 2]" 1
141 1 64 VAL H 1 65 THR H . . 3.080 2.348 2.237 2.455 . 0 0 "[ . 1 . 2]" 1
142 1 65 THR H 1 67 ARG H . . 4.320 4.080 3.922 4.226 . 0 0 "[ . 1 . 2]" 1
143 1 63 ALA HA 1 65 THR H . . 3.970 3.833 3.720 3.934 . 0 0 "[ . 1 . 2]" 1
144 1 65 THR H 1 65 THR MG . . 3.150 1.886 1.832 2.128 . 0 0 "[ . 1 . 2]" 1
145 1 64 VAL MG1 1 65 THR H . . 4.000 3.978 3.927 4.032 0.032 8 0 "[ . 1 . 2]" 1
146 1 49 TYR H 1 80 VAL H . . 3.380 2.798 2.596 3.077 . 0 0 "[ . 1 . 2]" 1
147 1 49 TYR H 1 49 TYR QD . . 3.660 3.210 2.894 3.411 . 0 0 "[ . 1 . 2]" 1
148 1 48 TYR QD 1 49 TYR H . . 4.760 4.333 3.963 4.673 . 0 0 "[ . 1 . 2]" 1
149 1 48 TYR HA 1 49 TYR H . . 2.810 2.158 2.138 2.212 . 0 0 "[ . 1 . 2]" 1
150 1 48 TYR HB3 1 49 TYR H . . 4.320 4.148 3.925 4.295 . 0 0 "[ . 1 . 2]" 1
151 1 48 TYR HB2 1 49 TYR H . . 3.470 3.275 2.980 3.481 0.011 20 0 "[ . 1 . 2]" 1
152 1 49 TYR H 1 80 VAL MG1 . . 4.760 4.476 4.189 4.691 . 0 0 "[ . 1 . 2]" 1
153 1 49 TYR H 1 80 VAL HB . . 3.860 3.366 3.164 3.613 . 0 0 "[ . 1 . 2]" 1
154 1 65 THR H 1 65 THR HB . . 3.920 3.029 2.864 3.209 . 0 0 "[ . 1 . 2]" 1
155 1 25 THR H 1 26 SER H . . 3.070 2.396 1.918 2.914 . 0 0 "[ . 1 . 2]" 1
156 1 26 SER H 1 102 THR MG . . 3.750 3.551 2.836 3.753 0.003 1 0 "[ . 1 . 2]" 1
157 1 42 LEU H 1 43 GLU H . . 3.500 2.852 2.600 3.021 . 0 0 "[ . 1 . 2]" 1
158 1 41 ILE HA 1 43 GLU H . . 4.490 4.263 4.089 4.483 . 0 0 "[ . 1 . 2]" 1
159 1 42 LEU HG 1 43 GLU H . . 4.260 4.114 3.950 4.258 . 0 0 "[ . 1 . 2]" 1
160 1 42 LEU HB3 1 43 GLU H . . 4.130 3.389 3.224 3.639 . 0 0 "[ . 1 . 2]" 1
161 1 70 VAL H 1 70 VAL HB . . 3.410 2.500 2.424 2.576 . 0 0 "[ . 1 . 2]" 1
162 1 70 VAL H 1 70 VAL MG2 . . 3.340 2.298 2.108 2.501 . 0 0 "[ . 1 . 2]" 1
163 1 27 VAL H 1 70 VAL H . . 3.790 3.502 3.240 3.797 0.007 16 0 "[ . 1 . 2]" 1
164 1 70 VAL H 1 70 VAL MG1 . . 4.170 3.766 3.746 3.795 . 0 0 "[ . 1 . 2]" 1
165 1 40 ILE MG 1 42 LEU H . . 4.820 4.059 3.670 4.337 . 0 0 "[ . 1 . 2]" 1
166 1 72 GLY H 1 73 LEU H . . 3.550 2.366 1.991 2.587 . 0 0 "[ . 1 . 2]" 1
167 1 47 LYS H 1 94 PHE QE . . 4.180 2.885 2.272 3.299 . 0 0 "[ . 1 . 2]" 1
168 1 47 LYS H 1 47 LYS HB2 . . 4.190 3.053 2.888 3.191 . 0 0 "[ . 1 . 2]" 1
169 1 47 LYS H 1 82 GLN HB2 . . 4.660 3.279 3.040 3.697 . 0 0 "[ . 1 . 2]" 1
170 1 47 LYS H 1 47 LYS HB3 . . 4.190 2.424 2.339 2.591 . 0 0 "[ . 1 . 2]" 1
171 1 65 THR HA 1 66 THR H . . 3.150 2.468 2.305 2.533 . 0 0 "[ . 1 . 2]" 1
172 1 65 THR HB 1 66 THR H . . 3.650 3.573 3.420 3.894 0.244 15 0 "[ . 1 . 2]" 1
173 1 96 GLN QB 1 97 ALA H . . 3.550 2.860 2.391 3.128 . 0 0 "[ . 1 . 2]" 1
174 1 102 THR HA 1 103 GLY H . . 2.960 2.493 2.326 2.593 . 0 0 "[ . 1 . 2]" 1
175 1 101 GLU H 1 101 GLU HB3 . . 3.260 2.847 2.786 2.904 . 0 0 "[ . 1 . 2]" 1
176 1 87 THR H 1 90 GLY H . . 3.860 3.639 3.358 3.833 . 0 0 "[ . 1 . 2]" 1
177 1 89 ALA H 1 90 GLY H . . 3.320 2.936 2.745 3.043 . 0 0 "[ . 1 . 2]" 1
178 1 89 ALA MB 1 90 GLY H . . 3.510 2.268 2.083 2.555 . 0 0 "[ . 1 . 2]" 1
179 1 50 GLU HB3 1 51 LYS H . . 3.980 3.735 3.573 3.863 . 0 0 "[ . 1 . 2]" 1
180 1 51 LYS H 1 51 LYS HB3 . . 3.480 2.379 2.142 2.486 . 0 0 "[ . 1 . 2]" 1
181 1 51 LYS H 1 79 TYR HA . . 3.870 2.126 1.929 2.675 . 0 0 "[ . 1 . 2]" 1
182 1 46 ILE H 1 61 LEU H . . 3.860 2.607 2.158 3.098 . 0 0 "[ . 1 . 2]" 1
183 1 79 TYR H 1 79 TYR HB3 . . 4.100 3.679 3.613 3.779 . 0 0 "[ . 1 . 2]" 1
184 1 78 ARG HA 1 79 TYR H . . 3.310 2.227 2.190 2.288 . 0 0 "[ . 1 . 2]" 1
185 1 98 MET HA 1 99 GLU H . . 2.740 2.213 2.143 2.334 . 0 0 "[ . 1 . 2]" 1
186 1 99 GLU H 1 99 GLU HB2 . . 3.280 2.502 2.312 2.568 . 0 0 "[ . 1 . 2]" 1
187 1 19 GLN HB2 1 20 GLU H . . 4.450 4.333 4.111 4.455 0.005 3 0 "[ . 1 . 2]" 1
188 1 78 ARG H 1 78 ARG HB2 . . 3.300 2.184 2.166 2.217 . 0 0 "[ . 1 . 2]" 1
189 1 78 ARG H 1 78 ARG HG3 . . 4.390 2.944 2.811 3.028 . 0 0 "[ . 1 . 2]" 1
190 1 9 ALA H 1 10 ALA H . . 4.700 4.558 4.251 4.643 . 0 0 "[ . 1 . 2]" 1
191 1 9 ALA H 1 9 ALA MB . . 3.280 2.232 2.028 2.652 . 0 0 "[ . 1 . 2]" 1
192 1 18 ARG H 1 18 ARG HG3 . . 4.440 2.799 2.107 2.987 . 0 0 "[ . 1 . 2]" 1
193 1 18 ARG HG3 1 19 GLN H . . 4.940 4.819 4.420 4.975 0.035 16 0 "[ . 1 . 2]" 1
194 1 21 ARG H 1 21 ARG QG . . 4.590 2.936 2.364 3.214 . 0 0 "[ . 1 . 2]" 1
195 1 23 GLY H 1 27 VAL MG1 . . 4.850 4.228 3.901 4.703 . 0 0 "[ . 1 . 2]" 1
196 1 23 GLY H 1 27 VAL MG2 . . 4.850 2.975 2.172 3.702 . 0 0 "[ . 1 . 2]" 1
197 1 26 SER H 1 73 LEU MD1 . . 4.580 4.007 3.296 4.484 . 0 0 "[ . 1 . 2]" 1
198 1 24 GLN QB 1 26 SER H . . 4.330 4.216 4.008 4.491 0.161 20 0 "[ . 1 . 2]" 1
199 1 23 GLY HA3 1 26 SER H . . 5.020 3.432 2.953 4.515 . 0 0 "[ . 1 . 2]" 1
200 1 23 GLY H 1 26 SER H . . 4.250 3.822 3.506 4.226 . 0 0 "[ . 1 . 2]" 1
201 1 27 VAL H 1 70 VAL MG1 . . 4.510 4.145 3.585 4.490 . 0 0 "[ . 1 . 2]" 1
202 1 26 SER HB2 1 27 VAL H . . 4.030 2.825 2.180 4.014 . 0 0 "[ . 1 . 2]" 1
203 1 27 VAL H 1 71 SER HA . . 4.440 3.642 3.491 3.918 . 0 0 "[ . 1 . 2]" 1
204 1 17 ILE MG 1 30 LEU H . . 4.590 3.169 2.850 3.691 . 0 0 "[ . 1 . 2]" 1
205 1 30 LEU H 1 31 TRP HE3 . . 4.360 3.628 3.249 4.045 . 0 0 "[ . 1 . 2]" 1
206 1 31 TRP H 1 31 TRP HE3 . . 4.320 2.896 2.529 3.248 . 0 0 "[ . 1 . 2]" 1
207 1 44 TYR H 1 44 TYR HD1 . . 4.570 3.347 2.475 5.223 0.653 16 3 "[ *. - 1 .+ 2]" 1
208 1 47 LYS H 1 83 VAL HA . . 4.530 3.746 3.315 4.040 . 0 0 "[ . 1 . 2]" 1
209 1 47 LYS HG3 1 48 TYR H . . 4.500 3.317 2.924 3.794 . 0 0 "[ . 1 . 2]" 1
210 1 48 TYR H 1 48 TYR QD . . 4.020 2.617 2.187 3.103 . 0 0 "[ . 1 . 2]" 1
211 1 49 TYR H 1 81 PHE HA . . 4.350 4.279 3.952 4.373 0.023 17 0 "[ . 1 . 2]" 1
212 1 52 ASP H 1 80 VAL MG2 . . 4.890 4.812 4.714 4.901 0.011 10 0 "[ . 1 . 2]" 1
213 1 52 ASP H 1 52 ASP QB . . 3.430 2.305 2.159 2.889 . 0 0 "[ . 1 . 2]" 1
214 1 56 GLN H 1 56 GLN QG . . 4.260 3.015 1.894 4.094 . 0 0 "[ . 1 . 2]" 1
215 1 56 GLN HB3 1 57 SER H . . 4.890 2.877 2.000 3.722 . 0 0 "[ . 1 . 2]" 1
216 1 58 TYR QD 1 59 SER H . . 4.310 3.589 3.088 3.957 . 0 0 "[ . 1 . 2]" 1
217 1 48 TYR H 1 59 SER H . . 4.420 3.767 2.648 4.181 . 0 0 "[ . 1 . 2]" 1
218 1 64 VAL HB 1 65 THR H . . 3.950 3.825 3.745 3.974 0.024 8 0 "[ . 1 . 2]" 1
219 1 31 TRP HZ2 1 67 ARG H . . 4.720 4.533 4.075 4.735 0.015 15 0 "[ . 1 . 2]" 1
220 1 70 VAL HB 1 71 SER H . . 4.510 4.354 4.230 4.445 . 0 0 "[ . 1 . 2]" 1
221 1 70 VAL H 1 71 SER H . . 4.510 4.392 4.303 4.494 . 0 0 "[ . 1 . 2]" 1
222 1 77 THR H 1 79 TYR QE . . 4.910 4.483 4.097 4.853 . 0 0 "[ . 1 . 2]" 1
223 1 79 TYR H 1 80 VAL H . . 4.680 4.357 4.237 4.460 . 0 0 "[ . 1 . 2]" 1
224 1 51 LYS H 1 80 VAL H . . 4.410 3.336 2.962 3.667 . 0 0 "[ . 1 . 2]" 1
225 1 81 PHE QD 1 82 GLN H . . 4.700 3.682 3.507 4.063 . 0 0 "[ . 1 . 2]" 1
226 1 83 VAL H 1 95 SER H . . 4.450 3.462 2.951 3.834 . 0 0 "[ . 1 . 2]" 1
227 1 84 ARG H 1 94 PHE QE . . 4.480 3.956 3.677 4.409 . 0 0 "[ . 1 . 2]" 1
228 1 86 ARG HB3 1 87 THR H . . 4.620 4.240 3.998 4.440 . 0 0 "[ . 1 . 2]" 1
229 1 86 ARG HB2 1 87 THR H . . 4.620 4.145 2.986 4.372 . 0 0 "[ . 1 . 2]" 1
230 1 87 THR H 1 91 CYS HA . . 4.360 2.984 2.486 3.277 . 0 0 "[ . 1 . 2]" 1
231 1 87 THR HB 1 89 ALA H . . 4.100 2.885 2.754 3.050 . 0 0 "[ . 1 . 2]" 1
232 1 87 THR MG 1 90 GLY H . . 4.710 4.463 4.220 4.624 . 0 0 "[ . 1 . 2]" 1
233 1 95 SER HB3 1 96 GLN H . . 4.400 3.428 2.167 3.749 . 0 0 "[ . 1 . 2]" 1
234 1 80 VAL MG1 1 98 MET H . . 4.280 2.889 2.580 3.124 . 0 0 "[ . 1 . 2]" 1
235 1 80 VAL MG2 1 100 VAL H . . 4.560 4.413 4.122 4.576 0.016 17 0 "[ . 1 . 2]" 1
236 1 100 VAL H 1 101 GLU H . . 4.400 4.289 4.219 4.358 . 0 0 "[ . 1 . 2]" 1
237 1 81 PHE H 1 100 VAL H . . 4.800 4.412 4.019 4.794 . 0 0 "[ . 1 . 2]" 1
238 1 101 GLU HB2 1 102 THR H . . 4.470 4.301 4.142 4.480 0.010 12 0 "[ . 1 . 2]" 1
239 1 101 GLU HG2 1 102 THR H . . 3.920 2.494 2.080 3.159 . 0 0 "[ . 1 . 2]" 1
240 1 78 ARG HA 1 102 THR H . . 3.910 3.634 3.344 3.917 0.007 10 0 "[ . 1 . 2]" 1
241 1 101 GLU H 1 102 THR H . . 4.700 4.458 4.337 4.544 . 0 0 "[ . 1 . 2]" 1
242 1 22 ALA MB 1 103 GLY H . . 4.440 4.249 3.711 4.446 0.006 8 0 "[ . 1 . 2]" 1
243 1 8 GLN QG 1 9 ALA H . . 4.820 3.880 3.322 4.447 . 0 0 "[ . 1 . 2]" 1
244 1 19 GLN HG3 1 21 ARG H . . 4.600 4.040 3.530 4.536 . 0 0 "[ . 1 . 2]" 1
245 1 43 GLU H 1 86 ARG H . . 4.660 3.718 3.466 4.036 . 0 0 "[ . 1 . 2]" 1
246 1 51 LYS HA 1 53 LYS H . . 4.700 4.629 3.595 4.715 0.015 5 0 "[ . 1 . 2]" 1
247 1 78 ARG HB3 1 79 TYR H . . 4.370 3.034 2.832 3.178 . 0 0 "[ . 1 . 2]" 1
248 1 81 PHE HB2 1 82 GLN H . . 4.580 3.890 3.740 4.061 . 0 0 "[ . 1 . 2]" 1
249 1 46 ILE HG12 1 82 GLN H . . 5.500 5.189 4.925 5.436 . 0 0 "[ . 1 . 2]" 1
250 1 80 VAL MG1 1 82 GLN H . . 5.500 4.841 4.626 5.053 . 0 0 "[ . 1 . 2]" 1
251 1 91 CYS HB3 1 92 GLY H . . 4.730 3.578 2.520 4.419 . 0 0 "[ . 1 . 2]" 1
252 1 91 CYS HB2 1 92 GLY H . . 4.730 3.552 2.374 4.366 . 0 0 "[ . 1 . 2]" 1
253 1 82 GLN HE21 1 94 PHE HB3 . . 4.940 3.127 2.368 4.096 . 0 0 "[ . 1 . 2]" 1
254 1 13 GLN HE21 1 95 SER HA . . 4.410 2.422 1.894 3.859 . 0 0 "[ . 1 . 2]" 1
255 1 31 TRP HE1 1 66 THR HB . . 4.660 4.298 3.603 4.678 0.018 7 0 "[ . 1 . 2]" 1
256 1 14 VAL MG2 1 31 TRP HE1 . . 5.040 4.172 3.747 5.053 0.013 8 0 "[ . 1 . 2]" 1
257 1 84 ARG HE 1 84 ARG HG2 . . 4.080 2.849 2.237 4.092 0.012 3 0 "[ . 1 . 2]" 1
258 1 84 ARG HE 1 84 ARG HG3 . . 4.080 3.009 2.275 3.894 . 0 0 "[ . 1 . 2]" 1
259 1 45 GLU HB3 1 84 ARG HE . . 4.500 2.964 1.890 4.590 0.090 3 0 "[ . 1 . 2]" 1
260 1 45 GLU HB2 1 84 ARG HE . . 4.500 3.274 1.931 4.490 . 0 0 "[ . 1 . 2]" 1
261 1 31 TRP HE1 1 44 TYR HB2 . . 4.550 3.468 3.081 3.745 . 0 0 "[ . 1 . 2]" 1
262 1 31 TRP HE1 1 44 TYR HB3 . . 4.670 3.501 2.857 3.860 . 0 0 "[ . 1 . 2]" 1
263 1 38 ASN H 1 39 GLY H . . 4.620 2.788 2.712 2.848 . 0 0 "[ . 1 . 2]" 1
264 1 99 GLU H 1 99 GLU HB3 . . 3.720 3.670 3.564 3.733 0.013 11 0 "[ . 1 . 2]" 1
265 1 44 TYR H 1 44 TYR HD2 . . 5.340 4.624 2.856 5.319 . 0 0 "[ . 1 . 2]" 1
266 1 22 ALA HA 1 23 GLY H . . 2.950 2.201 2.146 2.782 . 0 0 "[ . 1 . 2]" 1
267 1 23 GLY H 1 27 VAL HA . . 3.920 2.666 1.973 3.144 . 0 0 "[ . 1 . 2]" 1
268 1 22 ALA HA 1 28 SER H . . 3.820 3.203 2.893 3.522 . 0 0 "[ . 1 . 2]" 1
269 1 21 ARG H 1 28 SER H . . 4.080 3.135 2.854 3.387 . 0 0 "[ . 1 . 2]" 1
270 1 74 LYS H 1 102 THR MG . . 4.640 4.137 3.613 4.641 0.001 1 0 "[ . 1 . 2]" 1
271 1 74 LYS H 1 75 PRO HD3 . . 5.010 4.902 4.807 4.962 . 0 0 "[ . 1 . 2]" 1
272 1 74 LYS H 1 75 PRO HD2 . . 4.880 4.840 4.826 4.844 . 0 0 "[ . 1 . 2]" 1
273 1 67 ARG HG2 1 68 ALA H . . 5.490 4.693 4.235 5.119 . 0 0 "[ . 1 . 2]" 1
274 1 51 LYS H 1 51 LYS HG3 . . 4.400 4.227 2.925 4.414 0.014 14 0 "[ . 1 . 2]" 1
275 1 33 GLU H 1 33 GLU HB2 . . 3.330 2.208 2.103 2.244 . 0 0 "[ . 1 . 2]" 1
276 1 31 TRP HE1 1 44 TYR QE . . 4.210 3.302 3.063 3.726 . 0 0 "[ . 1 . 2]" 1
277 1 14 VAL MG1 1 31 TRP HE1 . . 5.040 4.611 4.114 4.977 . 0 0 "[ . 1 . 2]" 1
278 1 66 THR HB 1 67 ARG H . . 4.660 4.309 4.129 4.422 . 0 0 "[ . 1 . 2]" 1
279 1 84 ARG HE 1 94 PHE HZ . . 4.380 3.360 2.381 4.351 . 0 0 "[ . 1 . 2]" 1
280 1 84 ARG HE 1 94 PHE QE . . 4.810 3.544 2.609 4.465 . 0 0 "[ . 1 . 2]" 1
281 1 34 PRO HB3 1 35 GLU H . . 4.600 3.655 3.154 4.102 . 0 0 "[ . 1 . 2]" 1
282 1 19 GLN HB3 1 20 GLU H . . 4.540 4.399 4.040 4.481 . 0 0 "[ . 1 . 2]" 1
283 1 19 GLN H 1 19 GLN HG3 . . 4.870 4.747 4.603 4.840 . 0 0 "[ . 1 . 2]" 1
284 1 18 ARG HB2 1 19 GLN H . . 3.930 3.389 2.355 3.928 . 0 0 "[ . 1 . 2]" 1
285 1 46 ILE H 1 46 ILE MG . . 4.100 3.855 3.795 3.932 . 0 0 "[ . 1 . 2]" 1
286 1 46 ILE MG 1 47 LYS H . . 3.360 2.639 2.139 2.927 . 0 0 "[ . 1 . 2]" 1
287 1 46 ILE MG 1 82 GLN H . . 4.070 2.681 2.172 2.953 . 0 0 "[ . 1 . 2]" 1
288 1 46 ILE MG 1 81 PHE QD . . 3.030 2.492 2.241 2.778 . 0 0 "[ . 1 . 2]" 1
289 1 46 ILE MG 1 48 TYR QD . . 3.290 2.591 2.128 2.978 . 0 0 "[ . 1 . 2]" 1
290 1 46 ILE MG 1 83 VAL HA . . 4.200 3.536 3.148 3.839 . 0 0 "[ . 1 . 2]" 1
291 1 46 ILE MG 1 47 LYS HA . . 4.400 3.869 3.612 4.063 . 0 0 "[ . 1 . 2]" 1
292 1 46 ILE MG 1 81 PHE HA . . 4.320 3.623 3.307 3.805 . 0 0 "[ . 1 . 2]" 1
293 1 46 ILE HA 1 46 ILE MG . . 3.110 2.324 2.227 2.442 . 0 0 "[ . 1 . 2]" 1
294 1 46 ILE MG 1 81 PHE HB3 . . 3.660 3.049 2.768 3.248 . 0 0 "[ . 1 . 2]" 1
295 1 46 ILE MG 1 61 LEU QB . . 3.640 3.251 2.993 3.477 . 0 0 "[ . 1 . 2]" 1
296 1 46 ILE MG 1 68 ALA MB . . 4.590 4.150 3.781 4.572 . 0 0 "[ . 1 . 2]" 1
297 1 46 ILE HG13 1 46 ILE MG . . 3.330 3.094 2.673 3.153 . 0 0 "[ . 1 . 2]" 1
298 1 46 ILE HG12 1 46 ILE MG . . 2.940 2.133 2.003 2.249 . 0 0 "[ . 1 . 2]" 1
299 1 46 ILE MG 1 70 VAL MG2 . . 3.360 2.424 2.025 2.823 . 0 0 "[ . 1 . 2]" 1
300 1 29 LEU MD1 1 46 ILE MG . . 3.220 2.195 1.870 2.537 . 0 0 "[ . 1 . 2]" 1
301 1 46 ILE MG 1 83 VAL QG . . 3.250 2.605 2.309 2.937 . 0 0 "[ . 1 . 2]" 1
302 1 75 PRO HA 1 76 GLY HA2 . . 4.600 4.446 4.408 4.474 . 0 0 "[ . 1 . 2]" 1
303 1 76 GLY HA2 1 104 LYS HB3 . . 4.820 4.625 4.248 4.816 . 0 0 "[ . 1 . 2]" 1
304 1 76 GLY HA2 1 104 LYS QD . . 4.290 3.631 2.102 4.296 0.006 4 0 "[ . 1 . 2]" 1
305 1 76 GLY HA2 1 104 LYS HG3 . . 4.780 3.217 2.482 4.315 . 0 0 "[ . 1 . 2]" 1
306 1 75 PRO HA 1 76 GLY HA3 . . 4.600 4.541 4.449 4.603 0.003 4 0 "[ . 1 . 2]" 1
307 1 76 GLY HA3 1 104 LYS HB3 . . 4.820 4.233 3.923 4.459 . 0 0 "[ . 1 . 2]" 1
308 1 76 GLY HA3 1 104 LYS QD . . 4.290 3.555 1.991 4.265 . 0 0 "[ . 1 . 2]" 1
309 1 9 ALA HA 1 10 ALA MB . . 4.160 4.013 3.918 4.106 . 0 0 "[ . 1 . 2]" 1
310 1 10 ALA MB 1 11 PRO HD2 . . 3.540 2.130 1.938 2.502 . 0 0 "[ . 1 . 2]" 1
311 1 10 ALA MB 1 11 PRO HD3 . . 3.540 3.288 3.100 3.511 . 0 0 "[ . 1 . 2]" 1
312 1 19 GLN H 1 98 MET ME . . 3.580 3.378 2.797 3.581 0.001 5 0 "[ . 1 . 2]" 1
313 1 81 PHE QD 1 98 MET ME . . 3.980 3.838 3.365 3.983 0.003 1 0 "[ . 1 . 2]" 1
314 1 29 LEU HA 1 98 MET ME . . 4.250 4.016 3.494 4.264 0.014 20 0 "[ . 1 . 2]" 1
315 1 19 GLN HA 1 98 MET ME . . 3.610 3.410 3.017 3.615 0.005 18 0 "[ . 1 . 2]" 1
316 1 98 MET ME 1 100 VAL MG2 . . 2.580 1.993 1.804 2.355 . 0 0 "[ . 1 . 2]" 1
317 1 29 LEU MD2 1 98 MET ME . . 2.740 2.177 1.840 2.698 . 0 0 "[ . 1 . 2]" 1
318 1 41 ILE H 1 41 ILE MG . . 3.970 3.784 3.737 3.815 . 0 0 "[ . 1 . 2]" 1
319 1 40 ILE MG 1 41 ILE H . . 3.330 2.378 1.872 2.779 . 0 0 "[ . 1 . 2]" 1
320 1 40 ILE MG 1 42 LEU HA . . 3.880 3.635 3.353 3.887 0.007 18 0 "[ . 1 . 2]" 1
321 1 41 ILE MG 1 42 LEU H . . 3.560 2.769 2.434 3.209 . 0 0 "[ . 1 . 2]" 1
322 1 41 ILE MG 1 86 ARG H . . 3.980 2.443 1.843 3.042 . 0 0 "[ . 1 . 2]" 1
323 1 41 ILE MG 1 43 GLU H . . 3.370 2.612 2.283 2.888 . 0 0 "[ . 1 . 2]" 1
324 1 41 ILE MG 1 44 TYR QE . . 4.000 2.821 2.066 3.321 . 0 0 "[ . 1 . 2]" 1
325 1 41 ILE MG 1 43 GLU HA . . 4.390 3.313 3.049 3.588 . 0 0 "[ . 1 . 2]" 1
326 1 41 ILE MG 1 85 ALA HA . . 4.550 2.926 2.242 3.450 . 0 0 "[ . 1 . 2]" 1
327 1 41 ILE HA 1 41 ILE MG . . 3.220 2.397 2.317 2.479 . 0 0 "[ . 1 . 2]" 1
328 1 41 ILE MD 1 41 ILE MG . . 2.790 2.298 1.994 2.488 . 0 0 "[ . 1 . 2]" 1
329 1 40 ILE H 1 40 ILE MG . . 3.890 3.772 3.720 3.808 . 0 0 "[ . 1 . 2]" 1
330 1 29 LEU H 1 29 LEU HB2 . . 3.800 2.630 2.430 2.811 . 0 0 "[ . 1 . 2]" 1
331 1 29 LEU HB2 1 31 TRP HE3 . . 3.860 3.223 2.987 3.532 . 0 0 "[ . 1 . 2]" 1
332 1 29 LEU HB2 1 31 TRP HZ3 . . 3.410 2.404 2.084 2.664 . 0 0 "[ . 1 . 2]" 1
333 1 28 SER HA 1 29 LEU HB2 . . 4.720 4.489 4.261 4.609 . 0 0 "[ . 1 . 2]" 1
334 1 29 LEU HB3 1 31 TRP HE3 . . 3.740 2.850 2.541 3.098 . 0 0 "[ . 1 . 2]" 1
335 1 29 LEU HB3 1 31 TRP HZ3 . . 3.730 3.422 2.967 3.762 0.032 16 0 "[ . 1 . 2]" 1
336 1 17 ILE HG12 1 29 LEU HB3 . . 4.690 4.466 3.975 4.721 0.031 17 0 "[ . 1 . 2]" 1
337 1 17 ILE MD 1 29 LEU HB3 . . 5.290 4.637 4.260 5.191 . 0 0 "[ . 1 . 2]" 1
338 1 29 LEU HB3 1 46 ILE MD . . 5.500 4.985 4.417 5.399 . 0 0 "[ . 1 . 2]" 1
339 1 17 ILE MG 1 29 LEU HB3 . . 4.590 2.981 2.189 3.698 . 0 0 "[ . 1 . 2]" 1
340 1 55 MET H 1 55 MET ME . . 4.450 2.537 1.805 3.519 . 0 0 "[ . 1 . 2]" 1
341 1 55 MET HA 1 55 MET ME . . 4.300 3.313 1.897 4.272 . 0 0 "[ . 1 . 2]" 1
342 1 61 LEU QB 1 62 LYS H . . 3.940 3.610 3.286 3.753 . 0 0 "[ . 1 . 2]" 1
343 1 46 ILE H 1 61 LEU QB . . 4.670 3.297 2.843 3.802 . 0 0 "[ . 1 . 2]" 1
344 1 46 ILE MD 1 61 LEU QB . . 3.980 2.709 2.053 3.344 . 0 0 "[ . 1 . 2]" 1
345 1 61 LEU H 1 61 LEU QB . . 3.820 2.505 2.361 2.617 . 0 0 "[ . 1 . 2]" 1
346 1 17 ILE MG 1 18 ARG H . . 4.000 2.251 1.959 2.762 . 0 0 "[ . 1 . 2]" 1
347 1 17 ILE MG 1 81 PHE HB3 . . 4.490 4.363 4.043 4.541 0.051 19 0 "[ . 1 . 2]" 1
348 1 17 ILE MG 1 98 MET HB2 . . 4.260 3.338 2.904 3.902 . 0 0 "[ . 1 . 2]" 1
349 1 17 ILE MG 1 98 MET HB3 . . 4.260 3.805 3.204 4.067 . 0 0 "[ . 1 . 2]" 1
350 1 17 ILE HG12 1 17 ILE MG . . 3.720 2.318 2.168 2.417 . 0 0 "[ . 1 . 2]" 1
351 1 17 ILE MG 1 98 MET HG3 . . 4.600 4.141 3.083 4.617 0.017 16 0 "[ . 1 . 2]" 1
352 1 17 ILE MG 1 83 VAL QG . . 4.490 2.959 2.448 3.413 . 0 0 "[ . 1 . 2]" 1
353 1 18 ARG H 1 30 LEU QB . . 4.680 3.194 2.689 3.479 . 0 0 "[ . 1 . 2]" 1
354 1 30 LEU H 1 30 LEU QB . . 3.670 2.561 2.327 2.803 . 0 0 "[ . 1 . 2]" 1
355 1 30 LEU QB 1 67 ARG HA . . 5.270 5.096 4.430 5.299 0.029 12 0 "[ . 1 . 2]" 1
356 1 18 ARG HB2 1 30 LEU QB . . 4.300 2.321 2.047 3.180 . 0 0 "[ . 1 . 2]" 1
357 1 46 ILE H 1 46 ILE MD . . 3.640 3.370 2.135 3.659 0.019 7 0 "[ . 1 . 2]" 1
358 1 46 ILE MD 1 63 ALA H . . 4.350 3.924 3.248 4.292 . 0 0 "[ . 1 . 2]" 1
359 1 31 TRP HZ2 1 46 ILE MD . . 4.140 3.662 3.229 3.954 . 0 0 "[ . 1 . 2]" 1
360 1 31 TRP HH2 1 46 ILE MD . . 3.100 2.107 1.964 2.520 . 0 0 "[ . 1 . 2]" 1
361 1 46 ILE MD 1 83 VAL HA . . 5.070 4.657 3.946 4.925 . 0 0 "[ . 1 . 2]" 1
362 1 46 ILE HA 1 46 ILE MD . . 4.110 3.855 3.433 3.929 . 0 0 "[ . 1 . 2]" 1
363 1 44 TYR HB2 1 46 ILE MD . . 4.690 4.256 3.292 4.680 . 0 0 "[ . 1 . 2]" 1
364 1 44 TYR HB3 1 46 ILE MD . . 4.620 4.157 3.242 4.557 . 0 0 "[ . 1 . 2]" 1
365 1 46 ILE HB 1 46 ILE MD . . 3.130 2.243 2.111 2.294 . 0 0 "[ . 1 . 2]" 1
366 1 46 ILE MD 1 63 ALA MB . . 2.890 2.335 2.083 2.613 . 0 0 "[ . 1 . 2]" 1
367 1 46 ILE MD 1 83 VAL QG . . 3.700 3.040 2.658 3.317 . 0 0 "[ . 1 . 2]" 1
368 1 7 GLY QA 1 8 GLN QG . . 4.710 3.849 3.165 4.642 . 0 0 "[ . 1 . 2]" 1
369 1 7 GLY QA 1 89 ALA MB . . 5.030 4.310 3.330 5.049 0.019 7 0 "[ . 1 . 2]" 1
370 1 103 GLY HA2 1 104 LYS HA . . 4.720 4.374 4.339 4.430 . 0 0 "[ . 1 . 2]" 1
371 1 103 GLY HA2 1 104 LYS HB2 . . 4.520 4.398 4.272 4.528 0.008 4 0 "[ . 1 . 2]" 1
372 1 103 GLY HA3 1 104 LYS H . . 3.390 3.226 3.091 3.364 . 0 0 "[ . 1 . 2]" 1
373 1 102 THR HA 1 103 GLY HA3 . . 4.700 4.553 4.515 4.611 . 0 0 "[ . 1 . 2]" 1
374 1 17 ILE MD 1 31 TRP HE3 . . 4.980 4.691 4.357 4.978 . 0 0 "[ . 1 . 2]" 1
375 1 17 ILE HA 1 17 ILE MD . . 4.260 3.811 3.749 3.858 . 0 0 "[ . 1 . 2]" 1
376 1 17 ILE MD 1 82 GLN HA . . 3.900 3.263 2.737 3.431 . 0 0 "[ . 1 . 2]" 1
377 1 17 ILE MD 1 95 SER HB2 . . 4.240 2.421 1.846 3.069 . 0 0 "[ . 1 . 2]" 1
378 1 17 ILE MD 1 95 SER HB3 . . 4.240 2.477 1.845 3.040 . 0 0 "[ . 1 . 2]" 1
379 1 17 ILE MD 1 98 MET HB2 . . 4.270 3.546 3.079 4.201 . 0 0 "[ . 1 . 2]" 1
380 1 17 ILE HB 1 17 ILE MD . . 3.210 2.355 2.277 2.441 . 0 0 "[ . 1 . 2]" 1
381 1 17 ILE MD 1 29 LEU MD1 . . 3.920 3.798 3.368 3.925 0.005 19 0 "[ . 1 . 2]" 1
382 1 17 ILE MD 1 83 VAL QG . . 3.160 2.184 1.869 2.549 . 0 0 "[ . 1 . 2]" 1
383 1 17 ILE MD 1 83 VAL H . . 4.370 2.237 1.838 2.423 . 0 0 "[ . 1 . 2]" 1
384 1 106 SER HA 1 107 GLY HA2 . . 5.230 4.568 4.300 5.123 . 0 0 "[ . 1 . 2]" 1
385 1 107 GLY HA2 1 108 PRO QD . . 2.870 2.307 2.010 2.615 . 0 0 "[ . 1 . 2]" 1
386 1 107 GLY HA2 1 108 PRO QG . . 4.600 4.222 3.913 4.523 . 0 0 "[ . 1 . 2]" 1
387 1 106 SER HA 1 107 GLY HA3 . . 5.230 4.581 4.306 5.157 . 0 0 "[ . 1 . 2]" 1
388 1 107 GLY HA3 1 108 PRO QD . . 2.870 2.287 1.977 2.706 . 0 0 "[ . 1 . 2]" 1
389 1 79 TYR H 1 79 TYR HB2 . . 4.100 2.602 2.525 2.744 . 0 0 "[ . 1 . 2]" 1
390 1 79 TYR HB2 1 81 PHE HZ . . 4.710 3.747 3.288 4.124 . 0 0 "[ . 1 . 2]" 1
391 1 79 TYR HB3 1 81 PHE QE . . 4.000 3.484 2.980 3.761 . 0 0 "[ . 1 . 2]" 1
392 1 89 ALA MB 1 90 GLY HA2 . . 4.970 4.194 4.104 4.318 . 0 0 "[ . 1 . 2]" 1
393 1 11 PRO HG2 1 92 GLY HA2 . . 4.280 3.659 2.932 4.284 0.004 14 0 "[ . 1 . 2]" 1
394 1 11 PRO HG2 1 92 GLY HA3 . . 4.280 2.693 2.119 3.224 . 0 0 "[ . 1 . 2]" 1
395 1 89 ALA MB 1 90 GLY HA3 . . 4.970 3.653 3.558 3.743 . 0 0 "[ . 1 . 2]" 1
396 1 39 GLY HA2 1 40 ILE H . . 3.330 2.680 2.349 2.999 . 0 0 "[ . 1 . 2]" 1
397 1 39 GLY HA2 1 40 ILE MD . . 4.530 3.161 2.696 4.606 0.076 15 0 "[ . 1 . 2]" 1
398 1 39 GLY HA3 1 40 ILE H . . 3.380 2.464 2.217 2.803 . 0 0 "[ . 1 . 2]" 1
399 1 39 GLY HA3 1 40 ILE HB . . 5.110 4.875 4.659 5.031 . 0 0 "[ . 1 . 2]" 1
400 1 39 GLY HA2 1 87 THR MG . . 5.130 4.858 4.492 5.142 0.012 16 0 "[ . 1 . 2]" 1
401 1 46 ILE MG 1 81 PHE HB2 . . 4.700 4.493 4.197 4.688 . 0 0 "[ . 1 . 2]" 1
402 1 81 PHE HB2 1 100 VAL MG2 . . 5.500 3.886 3.304 4.578 . 0 0 "[ . 1 . 2]" 1
403 1 17 ILE MD 1 81 PHE HB3 . . 4.500 4.396 4.208 4.529 0.029 17 0 "[ . 1 . 2]" 1
404 1 93 ARG HB3 1 93 ARG QD . . 3.740 2.396 2.098 2.718 . 0 0 "[ . 1 . 2]" 1
405 1 18 ARG HB2 1 18 ARG HD3 . . 3.970 2.564 2.097 3.023 . 0 0 "[ . 1 . 2]" 1
406 1 18 ARG HB3 1 18 ARG HD3 . . 3.970 2.827 2.459 3.125 . 0 0 "[ . 1 . 2]" 1
407 1 67 ARG HA 1 67 ARG QD . . 4.530 4.061 3.455 4.231 . 0 0 "[ . 1 . 2]" 1
408 1 67 ARG HB2 1 67 ARG QD . . 3.220 2.304 2.023 2.484 . 0 0 "[ . 1 . 2]" 1
409 1 67 ARG HB3 1 67 ARG QD . . 3.220 2.595 2.326 3.193 . 0 0 "[ . 1 . 2]" 1
410 1 30 LEU MD2 1 67 ARG QD . . 4.690 3.612 2.715 4.561 . 0 0 "[ . 1 . 2]" 1
411 1 42 LEU H 1 42 LEU HB2 . . 4.080 2.601 2.491 2.676 . 0 0 "[ . 1 . 2]" 1
412 1 42 LEU HB2 1 43 GLU H . . 4.130 2.187 1.991 2.353 . 0 0 "[ . 1 . 2]" 1
413 1 42 LEU H 1 42 LEU HB3 . . 4.080 3.588 3.577 3.616 . 0 0 "[ . 1 . 2]" 1
414 1 41 ILE MD 1 44 TYR HH . . 4.730 2.636 1.954 2.960 . 0 0 "[ . 1 . 2]" 1
415 1 41 ILE H 1 41 ILE MD . . 3.900 3.488 3.280 3.717 . 0 0 "[ . 1 . 2]" 1
416 1 41 ILE MD 1 44 TYR QE . . 4.070 2.926 2.655 3.361 . 0 0 "[ . 1 . 2]" 1
417 1 33 GLU HA 1 41 ILE MD . . 4.490 4.129 3.429 4.417 . 0 0 "[ . 1 . 2]" 1
418 1 34 PRO QD 1 41 ILE MD . . 3.340 2.614 2.166 2.822 . 0 0 "[ . 1 . 2]" 1
419 1 37 PRO HA 1 41 ILE MD . . 3.900 3.183 2.633 3.917 0.017 11 0 "[ . 1 . 2]" 1
420 1 41 ILE HA 1 41 ILE MD . . 4.080 3.871 3.832 3.897 . 0 0 "[ . 1 . 2]" 1
421 1 37 PRO HB2 1 41 ILE MD . . 3.630 2.792 2.565 2.932 . 0 0 "[ . 1 . 2]" 1
422 1 37 PRO HG2 1 41 ILE MD . . 4.470 4.403 3.867 4.544 0.074 20 0 "[ . 1 . 2]" 1
423 1 37 PRO HB3 1 41 ILE MD . . 3.190 2.010 1.949 2.154 . 0 0 "[ . 1 . 2]" 1
424 1 34 PRO HG2 1 41 ILE MD . . 4.060 2.882 2.345 3.175 . 0 0 "[ . 1 . 2]" 1
425 1 78 ARG HB3 1 78 ARG HD2 . . 3.900 2.636 2.504 2.889 . 0 0 "[ . 1 . 2]" 1
426 1 21 ARG HB2 1 21 ARG QD . . 3.340 2.682 2.314 3.378 0.038 18 0 "[ . 1 . 2]" 1
427 1 21 ARG HB3 1 21 ARG QD . . 3.240 2.380 2.104 2.931 . 0 0 "[ . 1 . 2]" 1
428 1 48 TYR HB3 1 81 PHE QD . . 4.140 2.253 1.997 2.612 . 0 0 "[ . 1 . 2]" 1
429 1 48 TYR HB3 1 81 PHE QE . . 4.730 2.831 2.528 3.419 . 0 0 "[ . 1 . 2]" 1
430 1 48 TYR HB3 1 81 PHE HA . . 4.430 3.052 2.500 3.478 . 0 0 "[ . 1 . 2]" 1
431 1 46 ILE MG 1 48 TYR HB3 . . 4.480 3.227 2.906 3.570 . 0 0 "[ . 1 . 2]" 1
432 1 48 TYR HB2 1 81 PHE QD . . 4.260 3.595 3.036 4.000 . 0 0 "[ . 1 . 2]" 1
433 1 48 TYR HB2 1 81 PHE QE . . 4.760 3.252 2.687 3.736 . 0 0 "[ . 1 . 2]" 1
434 1 46 ILE MG 1 48 TYR HB2 . . 4.990 4.705 4.421 4.973 . 0 0 "[ . 1 . 2]" 1
435 1 53 LYS HA 1 53 LYS QE . . 4.240 3.772 1.977 4.258 0.018 11 0 "[ . 1 . 2]" 1
436 1 50 GLU HB3 1 53 LYS QE . . 5.270 5.061 4.366 5.309 0.039 19 0 "[ . 1 . 2]" 1
437 1 53 LYS QE 1 53 LYS HG2 . . 3.500 2.658 2.100 3.456 . 0 0 "[ . 1 . 2]" 1
438 1 51 LYS QE 1 51 LYS HG3 . . 3.210 2.693 2.339 3.042 . 0 0 "[ . 1 . 2]" 1
439 1 53 LYS QE 1 53 LYS HG3 . . 3.500 2.516 2.138 3.196 . 0 0 "[ . 1 . 2]" 1
440 1 87 THR HB 1 88 SER H . . 4.130 2.645 2.185 3.047 . 0 0 "[ . 1 . 2]" 1
441 1 40 ILE MD 1 41 ILE H . . 5.220 4.784 3.200 5.013 . 0 0 "[ . 1 . 2]" 1
442 1 40 ILE H 1 40 ILE MD . . 4.070 2.155 1.838 4.045 . 0 0 "[ . 1 . 2]" 1
443 1 40 ILE HA 1 40 ILE MD . . 3.430 3.199 2.280 3.384 . 0 0 "[ . 1 . 2]" 1
444 1 62 LYS QE 1 62 LYS HG3 . . 3.890 2.646 2.185 3.056 . 0 0 "[ . 1 . 2]" 1
445 1 104 LYS QE 1 105 PRO HD2 . . 5.500 4.473 2.165 5.294 . 0 0 "[ . 1 . 2]" 1
446 1 104 LYS QE 1 104 LYS HG2 . . 3.250 2.638 2.070 3.240 . 0 0 "[ . 1 . 2]" 1
447 1 104 LYS QE 1 104 LYS HG3 . . 3.250 2.486 2.061 3.281 0.031 3 0 "[ . 1 . 2]" 1
448 1 74 LYS QB 1 74 LYS QE . . 3.250 2.417 1.975 3.047 . 0 0 "[ . 1 . 2]" 1
449 1 74 LYS QE 1 74 LYS HG2 . . 3.260 2.667 2.101 3.377 0.117 10 0 "[ . 1 . 2]" 1
450 1 45 GLU HG2 1 62 LYS QE . . 4.760 3.941 2.868 4.800 0.040 2 0 "[ . 1 . 2]" 1
451 1 45 GLU HG3 1 62 LYS QE . . 4.760 3.346 2.027 4.299 . 0 0 "[ . 1 . 2]" 1
452 1 44 TYR HB2 1 63 ALA H . . 4.910 3.918 3.567 4.344 . 0 0 "[ . 1 . 2]" 1
453 1 44 TYR HB2 1 45 GLU H . . 4.620 4.289 3.930 4.502 . 0 0 "[ . 1 . 2]" 1
454 1 43 GLU HA 1 44 TYR HB2 . . 4.800 4.460 4.386 4.561 . 0 0 "[ . 1 . 2]" 1
455 1 31 TRP HZ2 1 44 TYR HB3 . . 4.080 2.970 2.443 3.388 . 0 0 "[ . 1 . 2]" 1
456 1 44 TYR HB3 1 63 ALA MB . . 4.090 3.818 3.498 4.094 0.004 11 0 "[ . 1 . 2]" 1
457 1 31 TRP HZ2 1 44 TYR HB2 . . 3.960 2.228 1.998 2.718 . 0 0 "[ . 1 . 2]" 1
458 1 77 THR HB 1 79 TYR QE . . 3.240 2.557 2.273 2.835 . 0 0 "[ . 1 . 2]" 1
459 1 77 THR HB 1 102 THR HG1 . . 3.930 3.567 3.142 3.955 0.025 15 0 "[ . 1 . 2]" 1
460 1 25 THR HA 1 73 LEU HB3 . . 4.800 4.270 3.844 4.717 . 0 0 "[ . 1 . 2]" 1
461 1 73 LEU HB3 1 102 THR MG . . 3.960 3.237 2.691 3.816 . 0 0 "[ . 1 . 2]" 1
462 1 73 LEU HB2 1 79 TYR QE . . 4.530 3.920 3.487 4.287 . 0 0 "[ . 1 . 2]" 1
463 1 73 LEU HB2 1 102 THR MG . . 3.980 2.869 2.189 3.260 . 0 0 "[ . 1 . 2]" 1
464 1 47 LYS HE2 1 49 TYR QD . . 4.680 2.461 1.995 3.674 . 0 0 "[ . 1 . 2]" 1
465 1 17 ILE HB 1 18 ARG H . . 4.560 4.149 3.925 4.363 . 0 0 "[ . 1 . 2]" 1
466 1 69 THR HB 1 70 VAL H . . 4.700 4.382 4.227 4.469 . 0 0 "[ . 1 . 2]" 1
467 1 69 THR H 1 69 THR HB . . 3.260 2.717 2.562 2.841 . 0 0 "[ . 1 . 2]" 1
468 1 94 PHE HB3 1 95 SER H . . 4.680 2.954 2.264 3.314 . 0 0 "[ . 1 . 2]" 1
469 1 82 GLN HE22 1 94 PHE HB3 . . 4.940 3.267 2.515 4.321 . 0 0 "[ . 1 . 2]" 1
470 1 82 GLN HB3 1 94 PHE HB3 . . 4.030 2.301 1.995 2.533 . 0 0 "[ . 1 . 2]" 1
471 1 82 GLN HE22 1 94 PHE HB2 . . 4.860 3.699 2.798 4.390 . 0 0 "[ . 1 . 2]" 1
472 1 82 GLN HB3 1 94 PHE HB2 . . 4.200 3.859 3.529 4.081 . 0 0 "[ . 1 . 2]" 1
473 1 82 GLN HB2 1 94 PHE HB2 . . 5.310 5.129 4.741 5.330 0.020 10 0 "[ . 1 . 2]" 1
474 1 51 LYS HG2 1 52 ASP QB . . 5.300 4.977 4.392 5.348 0.048 6 0 "[ . 1 . 2]" 1
475 1 52 ASP QB 1 53 LYS HG2 . . 5.500 2.831 2.459 3.391 . 0 0 "[ . 1 . 2]" 1
476 1 52 ASP QB 1 53 LYS H . . 4.450 2.724 2.449 3.899 . 0 0 "[ . 1 . 2]" 1
477 1 51 LYS HG3 1 52 ASP QB . . 5.020 4.014 2.985 4.618 . 0 0 "[ . 1 . 2]" 1
478 1 52 ASP QB 1 53 LYS HG3 . . 5.500 4.344 4.004 4.944 . 0 0 "[ . 1 . 2]" 1
479 1 58 TYR HB3 1 59 SER H . . 4.260 3.994 3.808 4.274 0.014 19 0 "[ . 1 . 2]" 1
480 1 46 ILE H 1 46 ILE HB . . 3.330 2.652 2.517 2.831 . 0 0 "[ . 1 . 2]" 1
481 1 46 ILE HB 1 61 LEU H . . 3.990 3.159 2.706 3.555 . 0 0 "[ . 1 . 2]" 1
482 1 46 ILE HB 1 47 LYS H . . 4.640 4.219 3.984 4.354 . 0 0 "[ . 1 . 2]" 1
483 1 46 ILE HB 1 61 LEU QB . . 3.390 2.061 1.968 2.302 . 0 0 "[ . 1 . 2]" 1
484 1 47 LYS HG3 1 58 TYR HB2 . . 4.980 2.774 2.163 3.325 . 0 0 "[ . 1 . 2]" 1
485 1 39 GLY HA2 1 40 ILE HB . . 5.130 5.008 4.736 5.106 . 0 0 "[ . 1 . 2]" 1
486 1 40 ILE HB 1 41 ILE H . . 4.550 4.162 3.860 4.419 . 0 0 "[ . 1 . 2]" 1
487 1 11 PRO HA 1 38 ASN HB2 . . 4.310 2.336 2.092 2.724 . 0 0 "[ . 1 . 2]" 1
488 1 99 GLU H 1 99 GLU HG3 . . 3.690 3.137 2.543 3.629 . 0 0 "[ . 1 . 2]" 1
489 1 99 GLU HA 1 99 GLU HG3 . . 3.830 2.917 2.440 3.087 . 0 0 "[ . 1 . 2]" 1
490 1 80 VAL MG1 1 99 GLU HG3 . . 4.280 3.884 2.707 4.265 . 0 0 "[ . 1 . 2]" 1
491 1 99 GLU H 1 99 GLU HG2 . . 4.220 4.125 3.910 4.248 0.028 20 0 "[ . 1 . 2]" 1
492 1 41 ILE H 1 41 ILE HB . . 3.280 2.503 2.394 2.562 . 0 0 "[ . 1 . 2]" 1
493 1 41 ILE HB 1 41 ILE MD . . 3.420 2.234 2.114 2.402 . 0 0 "[ . 1 . 2]" 1
494 1 35 GLU H 1 35 GLU HG2 . . 4.000 2.893 2.285 3.278 . 0 0 "[ . 1 . 2]" 1
495 1 35 GLU HA 1 35 GLU HG2 . . 3.870 2.549 2.304 3.852 . 0 0 "[ . 1 . 2]" 1
496 1 35 GLU H 1 35 GLU HG3 . . 4.000 2.266 2.008 2.582 . 0 0 "[ . 1 . 2]" 1
497 1 45 GLU HG2 1 46 ILE H . . 4.720 3.816 2.708 4.744 0.024 3 0 "[ . 1 . 2]" 1
498 1 45 GLU H 1 45 GLU HG2 . . 4.830 4.478 3.071 4.780 . 0 0 "[ . 1 . 2]" 1
499 1 45 GLU HG2 1 60 THR MG . . 4.110 2.478 1.824 3.918 . 0 0 "[ . 1 . 2]" 1
500 1 45 GLU HG3 1 46 ILE H . . 4.720 3.580 2.521 4.723 0.003 7 0 "[ . 1 . 2]" 1
501 1 45 GLU HG3 1 60 THR MG . . 4.110 2.866 1.860 3.985 . 0 0 "[ . 1 . 2]" 1
502 1 50 GLU HG3 1 51 LYS H . . 4.560 4.486 4.364 4.556 . 0 0 "[ . 1 . 2]" 1
503 1 51 LYS HB2 1 99 GLU HG2 . . 4.210 4.075 3.819 4.215 0.005 8 0 "[ . 1 . 2]" 1
504 1 20 GLU HG3 1 30 LEU QB . . 4.100 3.381 1.976 4.047 . 0 0 "[ . 1 . 2]" 1
505 1 51 LYS HD3 1 99 GLU HG2 . . 4.300 2.514 1.999 4.302 0.002 18 0 "[ . 1 . 2]" 1
506 1 20 GLU HG3 1 30 LEU MD1 . . 4.190 2.497 1.937 2.800 . 0 0 "[ . 1 . 2]" 1
507 1 20 GLU H 1 20 GLU HG2 . . 4.750 3.216 2.888 4.084 . 0 0 "[ . 1 . 2]" 1
508 1 20 GLU HG2 1 30 LEU QB . . 4.100 2.869 1.976 4.336 0.236 14 0 "[ . 1 . 2]" 1
509 1 50 GLU HG2 1 51 LYS H . . 4.600 4.369 4.067 4.543 . 0 0 "[ . 1 . 2]" 1
510 1 81 PHE QD 1 100 VAL HB . . 3.930 2.672 2.235 3.037 . 0 0 "[ . 1 . 2]" 1
511 1 81 PHE QE 1 100 VAL HB . . 3.310 2.058 1.988 2.489 . 0 0 "[ . 1 . 2]" 1
512 1 50 GLU H 1 50 GLU HG2 . . 4.310 4.186 4.108 4.295 . 0 0 "[ . 1 . 2]" 1
513 1 50 GLU HG2 1 79 TYR QE . . 4.440 3.914 3.541 4.341 . 0 0 "[ . 1 . 2]" 1
514 1 50 GLU HA 1 50 GLU HG2 . . 3.950 2.771 2.702 2.800 . 0 0 "[ . 1 . 2]" 1
515 1 50 GLU HG2 1 77 THR MG . . 3.590 2.167 1.845 2.623 . 0 0 "[ . 1 . 2]" 1
516 1 26 SER HB3 1 27 VAL H . . 4.030 3.770 2.685 4.072 0.042 20 0 "[ . 1 . 2]" 1
517 1 26 SER HB3 1 71 SER HA . . 3.900 2.977 2.088 3.573 . 0 0 "[ . 1 . 2]" 1
518 1 101 GLU H 1 101 GLU HG2 . . 4.740 4.551 4.521 4.597 . 0 0 "[ . 1 . 2]" 1
519 1 77 THR H 1 101 GLU HG2 . . 4.820 3.287 2.903 3.625 . 0 0 "[ . 1 . 2]" 1
520 1 101 GLU HA 1 101 GLU HG2 . . 3.770 2.507 2.400 2.706 . 0 0 "[ . 1 . 2]" 1
521 1 78 ARG HG3 1 101 GLU HG2 . . 4.540 3.928 3.538 4.427 . 0 0 "[ . 1 . 2]" 1
522 1 101 GLU HG3 1 102 THR H . . 4.130 3.783 3.404 4.137 0.007 16 0 "[ . 1 . 2]" 1
523 1 77 THR H 1 101 GLU HG3 . . 4.770 4.380 3.894 4.728 . 0 0 "[ . 1 . 2]" 1
524 1 79 TYR H 1 101 GLU HG3 . . 5.440 4.930 4.490 5.220 . 0 0 "[ . 1 . 2]" 1
525 1 101 GLU H 1 101 GLU HG3 . . 4.690 4.536 4.447 4.610 . 0 0 "[ . 1 . 2]" 1
526 1 27 VAL HB 1 81 PHE QE . . 4.740 3.443 3.000 4.496 . 0 0 "[ . 1 . 2]" 1
527 1 27 VAL HB 1 70 VAL HB . . 4.160 3.140 2.570 4.317 0.157 12 0 "[ . 1 . 2]" 1
528 1 33 GLU H 1 33 GLU HG2 . . 4.360 4.149 4.043 4.293 . 0 0 "[ . 1 . 2]" 1
529 1 33 GLU HA 1 33 GLU HG2 . . 4.010 2.936 2.260 3.466 . 0 0 "[ . 1 . 2]" 1
530 1 33 GLU HG2 1 34 PRO QD . . 4.100 2.793 1.971 3.343 . 0 0 "[ . 1 . 2]" 1
531 1 33 GLU H 1 33 GLU HG3 . . 4.360 3.123 2.831 3.736 . 0 0 "[ . 1 . 2]" 1
532 1 33 GLU HA 1 33 GLU HG3 . . 4.010 2.352 2.134 2.779 . 0 0 "[ . 1 . 2]" 1
533 1 33 GLU HG3 1 34 PRO QD . . 4.100 3.208 2.617 3.506 . 0 0 "[ . 1 . 2]" 1
534 1 47 LYS HB2 1 94 PHE QE . . 4.450 3.076 2.523 3.710 . 0 0 "[ . 1 . 2]" 1
535 1 47 LYS HB2 1 94 PHE HZ . . 4.490 2.598 1.990 3.308 . 0 0 "[ . 1 . 2]" 1
536 1 27 VAL HB 1 100 VAL MG1 . . 4.410 4.185 3.377 4.423 0.013 15 0 "[ . 1 . 2]" 1
537 1 27 VAL HB 1 81 PHE HZ . . 4.080 2.574 2.039 4.229 0.149 12 0 "[ . 1 . 2]" 1
538 1 47 LYS HB3 1 94 PHE QE . . 4.450 3.060 2.419 3.526 . 0 0 "[ . 1 . 2]" 1
539 1 47 LYS HB3 1 94 PHE HZ . . 4.490 3.479 2.584 4.152 . 0 0 "[ . 1 . 2]" 1
540 1 82 GLN HG2 1 97 ALA MB . . 4.340 4.161 3.899 4.337 . 0 0 "[ . 1 . 2]" 1
541 1 82 GLN HG3 1 97 ALA HA . . 3.940 3.149 2.569 3.899 . 0 0 "[ . 1 . 2]" 1
542 1 14 VAL HB 1 95 SER HB3 . . 4.680 3.459 2.046 4.681 0.001 18 0 "[ . 1 . 2]" 1
543 1 83 VAL H 1 95 SER HB2 . . 5.030 3.704 2.343 4.200 . 0 0 "[ . 1 . 2]" 1
544 1 14 VAL HB 1 95 SER HB2 . . 4.680 3.717 2.606 4.746 0.066 16 0 "[ . 1 . 2]" 1
545 1 83 VAL H 1 95 SER HB3 . . 5.030 3.212 2.516 4.032 . 0 0 "[ . 1 . 2]" 1
546 1 31 TRP H 1 66 THR HB . . 3.830 3.479 3.011 3.738 . 0 0 "[ . 1 . 2]" 1
547 1 32 GLN HA 1 66 THR HB . . 4.400 3.448 2.950 3.854 . 0 0 "[ . 1 . 2]" 1
548 1 82 GLN HB3 1 83 VAL H . . 4.900 3.700 3.506 3.839 . 0 0 "[ . 1 . 2]" 1
549 1 82 GLN HB3 1 94 PHE QD . . 4.240 2.256 1.989 2.624 . 0 0 "[ . 1 . 2]" 1
550 1 82 GLN HB2 1 94 PHE HB3 . . 4.270 3.812 3.470 4.156 . 0 0 "[ . 1 . 2]" 1
551 1 82 GLN HB2 1 83 VAL H . . 4.920 4.488 4.370 4.547 . 0 0 "[ . 1 . 2]" 1
552 1 83 VAL HB 1 84 ARG H . . 4.660 3.909 3.759 4.074 . 0 0 "[ . 1 . 2]" 1
553 1 83 VAL H 1 83 VAL HB . . 4.030 2.549 2.506 2.602 . 0 0 "[ . 1 . 2]" 1
554 1 82 GLN HA 1 83 VAL HB . . 4.860 4.686 4.623 4.758 . 0 0 "[ . 1 . 2]" 1
555 1 14 VAL HB 1 83 VAL HB . . 4.710 3.737 3.197 4.818 0.108 20 0 "[ . 1 . 2]" 1
556 1 54 GLU HG2 1 55 MET H . . 5.220 4.200 2.206 5.230 0.010 9 0 "[ . 1 . 2]" 1
557 1 49 TYR QD 1 54 GLU HG2 . . 5.020 4.004 3.072 5.048 0.028 6 0 "[ . 1 . 2]" 1
558 1 48 TYR QE 1 59 SER HB2 . . 4.200 2.872 2.282 3.849 . 0 0 "[ . 1 . 2]" 1
559 1 48 TYR QE 1 59 SER HB3 . . 4.200 3.142 2.685 4.037 . 0 0 "[ . 1 . 2]" 1
560 1 69 THR MG 1 71 SER HB3 . . 4.880 4.190 3.196 4.880 0.000 1 0 "[ . 1 . 2]" 1
561 1 71 SER HB2 1 72 GLY H . . 4.020 3.531 2.564 4.036 0.016 19 0 "[ . 1 . 2]" 1
562 1 71 SER H 1 71 SER HB2 . . 3.870 3.055 2.422 3.827 . 0 0 "[ . 1 . 2]" 1
563 1 69 THR MG 1 71 SER HB2 . . 4.880 3.898 2.756 4.554 . 0 0 "[ . 1 . 2]" 1
564 1 71 SER HB3 1 72 GLY H . . 4.020 3.434 2.487 4.019 . 0 0 "[ . 1 . 2]" 1
565 1 71 SER H 1 71 SER HB3 . . 3.870 3.014 2.364 3.748 . 0 0 "[ . 1 . 2]" 1
566 1 98 MET HB2 1 99 GLU H . . 4.470 4.033 3.851 4.264 . 0 0 "[ . 1 . 2]" 1
567 1 98 MET H 1 98 MET HB2 . . 4.110 2.876 2.642 3.046 . 0 0 "[ . 1 . 2]" 1
568 1 98 MET HB2 1 98 MET ME . . 4.130 3.781 3.459 4.005 . 0 0 "[ . 1 . 2]" 1
569 1 98 MET HB3 1 99 GLU H . . 4.470 4.093 3.703 4.359 . 0 0 "[ . 1 . 2]" 1
570 1 98 MET H 1 98 MET HB3 . . 4.110 2.417 2.352 2.514 . 0 0 "[ . 1 . 2]" 1
571 1 98 MET HB3 1 98 MET ME . . 4.130 3.824 2.914 4.119 . 0 0 "[ . 1 . 2]" 1
572 1 43 GLU HG3 1 44 TYR H . . 4.930 3.898 3.362 4.542 . 0 0 "[ . 1 . 2]" 1
573 1 43 GLU H 1 43 GLU HG3 . . 4.580 3.536 2.447 4.310 . 0 0 "[ . 1 . 2]" 1
574 1 43 GLU HG2 1 44 TYR H . . 4.930 4.449 3.948 4.754 . 0 0 "[ . 1 . 2]" 1
575 1 43 GLU H 1 43 GLU HG2 . . 4.580 2.705 2.318 4.225 . 0 0 "[ . 1 . 2]" 1
576 1 24 GLN HG2 1 103 GLY HA3 . . 4.580 3.975 3.025 4.357 . 0 0 "[ . 1 . 2]" 1
577 1 24 GLN HG2 1 25 THR MG . . 4.760 3.556 3.005 4.558 . 0 0 "[ . 1 . 2]" 1
578 1 24 GLN HG3 1 105 PRO HA . . 4.640 4.114 3.290 4.650 0.010 13 0 "[ . 1 . 2]" 1
579 1 24 GLN HG3 1 103 GLY HA3 . . 4.580 3.182 2.564 3.688 . 0 0 "[ . 1 . 2]" 1
580 1 62 LYS HB2 1 63 ALA H . . 4.570 4.270 4.029 4.470 . 0 0 "[ . 1 . 2]" 1
581 1 62 LYS HB3 1 63 ALA H . . 4.570 3.260 2.911 3.574 . 0 0 "[ . 1 . 2]" 1
582 1 62 LYS H 1 62 LYS HB3 . . 3.700 3.619 3.541 3.715 0.015 18 0 "[ . 1 . 2]" 1
583 1 14 VAL HA 1 34 PRO HA . . 4.140 3.330 2.774 3.792 . 0 0 "[ . 1 . 2]" 1
584 1 57 SER HB3 1 58 TYR H . . 5.050 4.100 3.388 4.474 . 0 0 "[ . 1 . 2]" 1
585 1 32 GLN H 1 32 GLN HG2 . . 4.490 2.771 2.403 4.120 . 0 0 "[ . 1 . 2]" 1
586 1 32 GLN HA 1 32 GLN HG2 . . 4.040 3.824 2.296 4.205 0.165 1 0 "[ . 1 . 2]" 1
587 1 16 VAL MG2 1 32 GLN HG2 . . 4.560 2.375 1.958 4.645 0.085 18 0 "[ . 1 . 2]" 1
588 1 32 GLN H 1 32 GLN HG3 . . 4.490 2.993 2.049 3.613 . 0 0 "[ . 1 . 2]" 1
589 1 11 PRO HB2 1 37 PRO HA . . 4.210 3.202 2.678 4.032 . 0 0 "[ . 1 . 2]" 1
590 1 18 ARG HB3 1 30 LEU QB . . 4.300 3.829 3.501 4.302 0.002 7 0 "[ . 1 . 2]" 1
591 1 56 GLN HA 1 56 GLN QG . . 3.450 2.620 2.238 3.090 . 0 0 "[ . 1 . 2]" 1
592 1 96 GLN H 1 96 GLN QG . . 3.490 2.800 2.089 3.618 0.128 16 0 "[ . 1 . 2]" 1
593 1 96 GLN QG 1 97 ALA H . . 3.900 3.594 3.438 3.920 0.020 17 0 "[ . 1 . 2]" 1
594 1 96 GLN HA 1 96 GLN QG . . 3.320 2.371 2.152 3.338 0.018 15 0 "[ . 1 . 2]" 1
595 1 96 GLN QG 1 97 ALA MB . . 4.940 4.825 4.679 5.055 0.115 16 0 "[ . 1 . 2]" 1
596 1 8 GLN QG 1 89 ALA MB . . 4.250 3.386 1.938 4.009 . 0 0 "[ . 1 . 2]" 1
597 1 15 VAL HB 1 16 VAL H . . 4.580 4.341 3.902 4.445 . 0 0 "[ . 1 . 2]" 1
598 1 21 ARG H 1 28 SER HB2 . . 4.680 3.562 3.317 3.806 . 0 0 "[ . 1 . 2]" 1
599 1 20 GLU HB2 1 28 SER HB2 . . 4.610 3.826 3.600 4.219 . 0 0 "[ . 1 . 2]" 1
600 1 28 SER HB2 1 29 LEU H . . 4.240 4.019 3.736 4.219 . 0 0 "[ . 1 . 2]" 1
601 1 28 SER H 1 28 SER HB2 . . 3.850 2.932 2.799 3.084 . 0 0 "[ . 1 . 2]" 1
602 1 20 GLU HB3 1 28 SER HB2 . . 4.610 4.427 4.066 4.666 0.056 7 0 "[ . 1 . 2]" 1
603 1 21 ARG QG 1 28 SER HB2 . . 4.630 4.208 2.148 4.648 0.018 12 0 "[ . 1 . 2]" 1
604 1 28 SER HB3 1 29 LEU H . . 4.370 3.961 3.741 4.177 . 0 0 "[ . 1 . 2]" 1
605 1 20 GLU H 1 28 SER HB3 . . 4.420 3.345 3.061 3.770 . 0 0 "[ . 1 . 2]" 1
606 1 28 SER HB3 1 69 THR HG1 . . 4.090 3.816 3.574 4.130 0.040 12 0 "[ . 1 . 2]" 1
607 1 20 GLU HB2 1 28 SER HB3 . . 4.060 2.483 2.046 2.988 . 0 0 "[ . 1 . 2]" 1
608 1 20 GLU HB3 1 28 SER HB3 . . 4.060 3.268 2.726 3.637 . 0 0 "[ . 1 . 2]" 1
609 1 21 ARG QG 1 28 SER HB3 . . 3.840 3.510 1.808 3.839 . 0 0 "[ . 1 . 2]" 1
610 1 13 GLN HG2 1 14 VAL H . . 4.380 2.985 2.402 3.955 . 0 0 "[ . 1 . 2]" 1
611 1 45 GLU HB2 1 46 ILE H . . 4.580 4.328 3.973 4.499 . 0 0 "[ . 1 . 2]" 1
612 1 45 GLU H 1 45 GLU HB2 . . 4.000 2.428 2.171 2.826 . 0 0 "[ . 1 . 2]" 1
613 1 45 GLU HB2 1 60 THR MG . . 4.770 4.215 3.538 4.776 0.006 16 0 "[ . 1 . 2]" 1
614 1 45 GLU HB2 1 84 ARG HG3 . . 4.390 3.029 1.995 3.744 . 0 0 "[ . 1 . 2]" 1
615 1 45 GLU HB2 1 84 ARG HG2 . . 4.390 3.363 2.354 4.357 . 0 0 "[ . 1 . 2]" 1
616 1 45 GLU HB3 1 46 ILE H . . 4.580 3.637 2.656 4.293 . 0 0 "[ . 1 . 2]" 1
617 1 45 GLU H 1 45 GLU HB3 . . 4.000 3.087 2.433 3.607 . 0 0 "[ . 1 . 2]" 1
618 1 45 GLU HB3 1 60 THR MG . . 4.770 3.410 2.138 4.334 . 0 0 "[ . 1 . 2]" 1
619 1 45 GLU HB3 1 84 ARG HG3 . . 4.390 3.059 2.007 4.271 . 0 0 "[ . 1 . 2]" 1
620 1 45 GLU HB3 1 84 ARG HG2 . . 4.390 2.720 1.996 3.956 . 0 0 "[ . 1 . 2]" 1
621 1 13 GLN HG2 1 95 SER HA . . 4.050 2.476 1.984 3.029 . 0 0 "[ . 1 . 2]" 1
622 1 13 GLN HA 1 13 GLN HG2 . . 4.230 2.861 2.431 3.146 . 0 0 "[ . 1 . 2]" 1
623 1 13 GLN HG3 1 14 VAL H . . 4.380 3.676 2.720 4.409 0.029 20 0 "[ . 1 . 2]" 1
624 1 74 LYS QB 1 77 THR HB . . 3.890 2.820 2.427 3.087 . 0 0 "[ . 1 . 2]" 1
625 1 36 GLN H 1 36 GLN HG2 . . 4.360 3.816 2.210 4.330 . 0 0 "[ . 1 . 2]" 1
626 1 36 GLN HA 1 36 GLN HG2 . . 3.890 2.490 2.187 3.719 . 0 0 "[ . 1 . 2]" 1
627 1 12 SER QB 1 36 GLN HG2 . . 5.500 5.126 2.139 5.572 0.072 17 0 "[ . 1 . 2]" 1
628 1 36 GLN H 1 36 GLN HG3 . . 4.360 3.649 2.751 4.304 . 0 0 "[ . 1 . 2]" 1
629 1 36 GLN HA 1 36 GLN HG3 . . 3.890 3.301 2.381 3.752 . 0 0 "[ . 1 . 2]" 1
630 1 12 SER QB 1 36 GLN HG3 . . 5.500 4.688 1.973 5.177 . 0 0 "[ . 1 . 2]" 1
631 1 19 GLN HG2 1 20 GLU H . . 4.550 3.250 2.699 3.673 . 0 0 "[ . 1 . 2]" 1
632 1 19 GLN HG2 1 21 ARG H . . 4.600 3.140 2.626 3.728 . 0 0 "[ . 1 . 2]" 1
633 1 19 GLN HA 1 19 GLN HG2 . . 3.930 2.928 2.596 3.168 . 0 0 "[ . 1 . 2]" 1
634 1 19 GLN HG2 1 29 LEU MD2 . . 4.780 4.603 4.243 4.794 0.014 20 0 "[ . 1 . 2]" 1
635 1 19 GLN HG3 1 20 GLU H . . 4.550 3.927 3.300 4.553 0.003 10 0 "[ . 1 . 2]" 1
636 1 19 GLN HG3 1 29 LEU MD2 . . 4.780 3.541 3.194 4.498 . 0 0 "[ . 1 . 2]" 1
637 1 16 VAL H 1 16 VAL HB . . 3.910 3.025 2.591 3.322 . 0 0 "[ . 1 . 2]" 1
638 1 16 VAL HB 1 32 GLN H . . 4.660 3.735 1.874 4.813 0.153 16 0 "[ . 1 . 2]" 1
639 1 51 LYS HB2 1 51 LYS HD2 . . 3.670 2.887 2.706 3.195 . 0 0 "[ . 1 . 2]" 1
640 1 51 LYS H 1 51 LYS HB2 . . 3.580 2.762 2.624 3.520 . 0 0 "[ . 1 . 2]" 1
641 1 51 LYS HB3 1 51 LYS HD2 . . 4.160 3.767 3.666 3.904 . 0 0 "[ . 1 . 2]" 1
642 1 25 THR MG 1 75 PRO HB2 . . 4.900 4.615 3.978 4.909 0.009 4 0 "[ . 1 . 2]" 1
643 1 34 PRO HB2 1 35 GLU H . . 4.600 2.951 1.923 3.680 . 0 0 "[ . 1 . 2]" 1
644 1 25 THR MG 1 75 PRO HB3 . . 4.660 3.192 2.570 3.536 . 0 0 "[ . 1 . 2]" 1
645 1 49 TYR QD 1 80 VAL HB . . 4.770 3.527 3.287 3.812 . 0 0 "[ . 1 . 2]" 1
646 1 80 VAL HB 1 97 ALA MB . . 5.140 4.958 4.372 5.145 0.005 9 0 "[ . 1 . 2]" 1
647 1 75 PRO HB2 1 102 THR HG1 . . 5.500 5.318 4.701 5.519 0.019 20 0 "[ . 1 . 2]" 1
648 1 75 PRO HB2 1 104 LYS HA . . 4.060 3.193 2.779 3.593 . 0 0 "[ . 1 . 2]" 1
649 1 24 GLN HA 1 75 PRO HB2 . . 5.500 5.107 4.239 5.467 . 0 0 "[ . 1 . 2]" 1
650 1 75 PRO HB2 1 105 PRO HD3 . . 4.160 2.038 1.983 2.169 . 0 0 "[ . 1 . 2]" 1
651 1 24 GLN HE21 1 105 PRO HA . . 4.300 3.093 1.893 4.092 . 0 0 "[ . 1 . 2]" 1
652 1 75 PRO HB3 1 105 PRO HD3 . . 3.930 3.725 3.511 3.901 . 0 0 "[ . 1 . 2]" 1
653 1 24 GLN HE22 1 105 PRO HA . . 4.300 3.511 2.260 4.329 0.029 19 0 "[ . 1 . 2]" 1
654 1 24 GLN HG2 1 105 PRO HA . . 4.640 4.076 3.270 4.440 . 0 0 "[ . 1 . 2]" 1
655 1 75 PRO HB2 1 105 PRO HA . . 4.570 3.814 3.363 4.430 . 0 0 "[ . 1 . 2]" 1
656 1 34 PRO HA 1 35 GLU H . . 3.030 2.304 2.152 2.713 . 0 0 "[ . 1 . 2]" 1
657 1 34 PRO HA 1 35 GLU HG2 . . 5.060 4.697 3.235 5.005 . 0 0 "[ . 1 . 2]" 1
658 1 33 GLU HB3 1 34 PRO HA . . 5.500 4.808 4.700 4.882 . 0 0 "[ . 1 . 2]" 1
659 1 104 LYS H 1 104 LYS HB3 . . 3.620 3.549 3.493 3.582 . 0 0 "[ . 1 . 2]" 1
660 1 104 LYS HB2 1 105 PRO HD2 . . 3.960 3.763 3.611 3.934 . 0 0 "[ . 1 . 2]" 1
661 1 77 THR HA 1 78 ARG H . . 2.820 2.145 2.142 2.159 . 0 0 "[ . 1 . 2]" 1
662 1 21 ARG HB2 1 28 SER HB3 . . 4.020 3.312 2.676 4.036 0.016 11 0 "[ . 1 . 2]" 1
663 1 21 ARG HB3 1 28 SER HB3 . . 4.940 4.719 4.095 4.969 0.029 6 0 "[ . 1 . 2]" 1
664 1 15 VAL HA 1 15 VAL MG1 . . 3.430 2.331 2.141 3.024 . 0 0 "[ . 1 . 2]" 1
665 1 16 VAL HA 1 17 ILE H . . 2.870 2.157 2.143 2.170 . 0 0 "[ . 1 . 2]" 1
666 1 42 LEU MD1 1 88 SER HB3 . . 4.190 3.566 2.714 4.192 0.002 14 0 "[ . 1 . 2]" 1
667 1 42 LEU MD2 1 88 SER HB2 . . 4.900 3.940 2.632 4.916 0.016 20 0 "[ . 1 . 2]" 1
668 1 42 LEU MD1 1 88 SER HB2 . . 4.190 3.612 2.760 4.209 0.019 12 0 "[ . 1 . 2]" 1
669 1 21 ARG HB2 1 22 ALA H . . 4.850 3.736 2.081 4.284 . 0 0 "[ . 1 . 2]" 1
670 1 78 ARG HG2 1 101 GLU HB3 . . 4.960 4.188 3.921 4.557 . 0 0 "[ . 1 . 2]" 1
671 1 100 VAL HA 1 101 GLU HB3 . . 5.050 4.937 4.866 4.983 . 0 0 "[ . 1 . 2]" 1
672 1 101 GLU H 1 101 GLU HB2 . . 3.470 2.615 2.514 2.708 . 0 0 "[ . 1 . 2]" 1
673 1 41 ILE HA 1 42 LEU H . . 3.120 2.149 2.139 2.178 . 0 0 "[ . 1 . 2]" 1
674 1 41 ILE HA 1 87 THR HA . . 4.040 2.875 2.503 3.548 . 0 0 "[ . 1 . 2]" 1
675 1 41 ILE HA 1 42 LEU HG . . 4.210 3.784 3.626 3.967 . 0 0 "[ . 1 . 2]" 1
676 1 41 ILE HA 1 41 ILE HG12 . . 4.180 2.718 2.582 2.828 . 0 0 "[ . 1 . 2]" 1
677 1 40 ILE MG 1 41 ILE HA . . 4.280 3.858 3.619 4.004 . 0 0 "[ . 1 . 2]" 1
678 1 55 MET H 1 55 MET HG2 . . 4.620 3.245 1.997 4.450 . 0 0 "[ . 1 . 2]" 1
679 1 55 MET H 1 55 MET HG3 . . 4.620 3.637 2.051 4.586 . 0 0 "[ . 1 . 2]" 1
680 1 11 PRO HB2 1 12 SER H . . 4.650 2.732 1.925 3.360 . 0 0 "[ . 1 . 2]" 1
681 1 11 PRO HB2 1 41 ILE MD . . 4.560 3.844 3.299 4.197 . 0 0 "[ . 1 . 2]" 1
682 1 78 ARG HG3 1 101 GLU HB3 . . 4.960 4.768 4.364 4.972 0.012 19 0 "[ . 1 . 2]" 1
683 1 11 PRO HB3 1 37 PRO HA . . 4.210 3.059 2.278 3.954 . 0 0 "[ . 1 . 2]" 1
684 1 64 VAL HB 1 65 THR MG . . 5.100 4.760 4.555 5.129 0.029 15 0 "[ . 1 . 2]" 1
685 1 11 PRO HB2 1 85 ALA MB . . 4.050 2.707 2.171 3.181 . 0 0 "[ . 1 . 2]" 1
686 1 37 PRO HB3 1 39 GLY H . . 4.930 4.704 4.371 4.930 0.000 4 0 "[ . 1 . 2]" 1
687 1 37 PRO HB3 1 87 THR MG . . 4.990 4.660 4.092 5.015 0.025 17 0 "[ . 1 . 2]" 1
688 1 11 PRO HB3 1 12 SER H . . 4.650 3.529 3.153 3.886 . 0 0 "[ . 1 . 2]" 1
689 1 11 PRO HB3 1 41 ILE MD . . 4.560 3.897 3.517 4.203 . 0 0 "[ . 1 . 2]" 1
690 1 37 PRO HB2 1 87 THR MG . . 4.760 3.811 3.209 4.216 . 0 0 "[ . 1 . 2]" 1
691 1 37 PRO HB2 1 39 GLY H . . 4.030 3.139 2.683 3.613 . 0 0 "[ . 1 . 2]" 1
692 1 75 PRO HB3 1 105 PRO HB3 . . 4.220 4.107 3.861 4.229 0.009 19 0 "[ . 1 . 2]" 1
693 1 34 PRO QD 1 37 PRO HB3 . . 4.340 3.456 3.089 4.042 . 0 0 "[ . 1 . 2]" 1
694 1 37 PRO HB3 1 41 ILE HG12 . . 4.710 4.044 3.698 4.280 . 0 0 "[ . 1 . 2]" 1
695 1 99 GLU HB2 1 100 VAL H . . 4.430 4.314 4.144 4.414 . 0 0 "[ . 1 . 2]" 1
696 1 27 VAL H 1 70 VAL HB . . 4.290 3.434 2.728 3.844 . 0 0 "[ . 1 . 2]" 1
697 1 70 VAL HB 1 81 PHE QE . . 4.250 2.377 1.986 3.233 . 0 0 "[ . 1 . 2]" 1
698 1 61 LEU MD2 1 70 VAL HA . . 3.540 2.412 2.008 2.803 . 0 0 "[ . 1 . 2]" 1
699 1 69 THR MG 1 70 VAL HA . . 4.360 4.201 3.928 4.328 . 0 0 "[ . 1 . 2]" 1
700 1 98 MET HG2 1 99 GLU H . . 3.950 3.360 2.305 3.946 . 0 0 "[ . 1 . 2]" 1
701 1 98 MET H 1 98 MET HG2 . . 4.970 4.419 4.289 4.554 . 0 0 "[ . 1 . 2]" 1
702 1 17 ILE MG 1 98 MET HG2 . . 4.600 3.852 2.976 4.310 . 0 0 "[ . 1 . 2]" 1
703 1 98 MET HG2 1 100 VAL MG2 . . 3.670 2.422 2.128 2.868 . 0 0 "[ . 1 . 2]" 1
704 1 98 MET HG3 1 99 GLU H . . 3.950 2.586 2.011 3.726 . 0 0 "[ . 1 . 2]" 1
705 1 98 MET HG3 1 100 VAL MG2 . . 3.670 2.867 2.192 3.439 . 0 0 "[ . 1 . 2]" 1
706 1 32 GLN H 1 32 GLN HB2 . . 4.010 3.551 2.366 3.858 . 0 0 "[ . 1 . 2]" 1
707 1 16 VAL MG1 1 32 GLN HB2 . . 4.840 3.943 1.961 4.477 . 0 0 "[ . 1 . 2]" 1
708 1 32 GLN HB3 1 33 GLU H . . 4.550 3.744 2.183 4.228 . 0 0 "[ . 1 . 2]" 1
709 1 32 GLN H 1 32 GLN HB3 . . 4.010 2.758 2.181 3.719 . 0 0 "[ . 1 . 2]" 1
710 1 16 VAL MG1 1 32 GLN HB3 . . 4.840 3.349 2.138 4.254 . 0 0 "[ . 1 . 2]" 1
711 1 16 VAL MG2 1 32 GLN HB3 . . 4.840 3.505 1.914 4.226 . 0 0 "[ . 1 . 2]" 1
712 1 20 GLU H 1 20 GLU HB2 . . 3.940 2.179 2.158 2.230 . 0 0 "[ . 1 . 2]" 1
713 1 20 GLU HB2 1 30 LEU MD1 . . 5.060 4.106 3.752 4.357 . 0 0 "[ . 1 . 2]" 1
714 1 20 GLU H 1 20 GLU HB3 . . 3.940 3.475 3.425 3.501 . 0 0 "[ . 1 . 2]" 1
715 1 20 GLU HB3 1 21 ARG H . . 4.300 2.903 2.430 3.186 . 0 0 "[ . 1 . 2]" 1
716 1 55 MET H 1 55 MET HB2 . . 4.160 2.968 2.258 3.830 . 0 0 "[ . 1 . 2]" 1
717 1 93 ARG H 1 93 ARG HB2 . . 3.860 2.458 2.234 2.771 . 0 0 "[ . 1 . 2]" 1
718 1 93 ARG HB2 1 93 ARG QD . . 3.740 2.730 2.111 3.491 . 0 0 "[ . 1 . 2]" 1
719 1 93 ARG H 1 93 ARG HB3 . . 3.860 3.625 3.520 3.851 . 0 0 "[ . 1 . 2]" 1
720 1 100 VAL HA 1 101 GLU H . . 2.600 2.188 2.164 2.270 . 0 0 "[ . 1 . 2]" 1
721 1 100 VAL HA 1 101 GLU HB2 . . 4.390 4.198 4.116 4.247 . 0 0 "[ . 1 . 2]" 1
722 1 100 VAL HA 1 100 VAL MG1 . . 2.950 2.415 2.354 2.490 . 0 0 "[ . 1 . 2]" 1
723 1 88 SER HA 1 90 GLY H . . 5.070 4.902 4.528 5.087 0.017 17 0 "[ . 1 . 2]" 1
724 1 42 LEU MD1 1 88 SER HA . . 3.220 2.486 1.966 3.031 . 0 0 "[ . 1 . 2]" 1
725 1 80 VAL HA 1 81 PHE QD . . 4.130 3.981 3.377 4.161 0.031 19 0 "[ . 1 . 2]" 1
726 1 80 VAL HA 1 80 VAL MG1 . . 3.040 2.375 2.274 2.458 . 0 0 "[ . 1 . 2]" 1
727 1 94 PHE HA 1 95 SER H . . 3.520 2.262 2.163 2.502 . 0 0 "[ . 1 . 2]" 1
728 1 94 PHE HA 1 94 PHE QD . . 3.700 2.393 2.123 2.764 . 0 0 "[ . 1 . 2]" 1
729 1 84 ARG HB3 1 94 PHE HA . . 4.320 2.081 1.983 2.582 . 0 0 "[ . 1 . 2]" 1
730 1 84 ARG HB2 1 94 PHE HA . . 4.320 3.181 2.826 3.502 . 0 0 "[ . 1 . 2]" 1
731 1 22 ALA MB 1 102 THR HA . . 3.690 3.263 2.661 3.731 0.041 15 0 "[ . 1 . 2]" 1
732 1 78 ARG HB2 1 79 TYR H . . 4.310 4.217 4.100 4.298 . 0 0 "[ . 1 . 2]" 1
733 1 78 ARG HB2 1 101 GLU HA . . 5.210 4.949 4.655 5.219 0.009 10 0 "[ . 1 . 2]" 1
734 1 77 THR HA 1 78 ARG HB2 . . 4.600 4.268 4.259 4.278 . 0 0 "[ . 1 . 2]" 1
735 1 51 LYS HB3 1 78 ARG HB2 . . 4.240 2.648 2.354 4.249 0.009 6 0 "[ . 1 . 2]" 1
736 1 77 THR MG 1 78 ARG HB2 . . 4.870 4.015 3.884 4.216 . 0 0 "[ . 1 . 2]" 1
737 1 51 LYS H 1 78 ARG HB2 . . 4.820 4.440 4.213 4.700 . 0 0 "[ . 1 . 2]" 1
738 1 78 ARG H 1 78 ARG HB3 . . 3.520 3.491 3.477 3.513 . 0 0 "[ . 1 . 2]" 1
739 1 77 THR HA 1 78 ARG HB3 . . 5.500 5.587 5.579 5.597 0.097 8 0 "[ . 1 . 2]" 1
740 1 78 ARG HB3 1 78 ARG HD3 . . 3.900 2.533 2.328 2.733 . 0 0 "[ . 1 . 2]" 1
741 1 51 LYS HB3 1 78 ARG HB3 . . 4.250 2.120 1.993 3.210 . 0 0 "[ . 1 . 2]" 1
742 1 80 VAL HA 1 100 VAL H . . 3.930 3.738 3.440 3.914 . 0 0 "[ . 1 . 2]" 1
743 1 80 VAL HA 1 97 ALA MB . . 5.400 5.061 4.842 5.277 . 0 0 "[ . 1 . 2]" 1
744 1 13 GLN H 1 13 GLN HB3 . . 3.940 2.540 2.399 2.921 . 0 0 "[ . 1 . 2]" 1
745 1 13 GLN H 1 13 GLN HB2 . . 3.730 2.716 2.189 2.977 . 0 0 "[ . 1 . 2]" 1
746 1 12 SER HA 1 13 GLN HB3 . . 4.960 4.754 4.536 5.042 0.082 18 0 "[ . 1 . 2]" 1
747 1 12 SER HA 1 13 GLN HB2 . . 4.690 4.455 4.264 4.676 . 0 0 "[ . 1 . 2]" 1
748 1 35 GLU HB2 1 36 GLN H . . 4.250 2.422 2.013 3.622 . 0 0 "[ . 1 . 2]" 1
749 1 40 ILE HA 1 41 ILE H . . 2.750 2.168 2.143 2.272 . 0 0 "[ . 1 . 2]" 1
750 1 40 ILE HA 1 41 ILE HA . . 4.670 4.378 4.368 4.405 . 0 0 "[ . 1 . 2]" 1
751 1 40 ILE HA 1 41 ILE HB . . 4.650 4.607 4.507 4.657 0.007 13 0 "[ . 1 . 2]" 1
752 1 40 ILE HA 1 87 THR MG . . 4.510 4.265 3.980 4.500 . 0 0 "[ . 1 . 2]" 1
753 1 40 ILE HA 1 40 ILE MG . . 2.950 2.377 2.303 2.476 . 0 0 "[ . 1 . 2]" 1
754 1 33 GLU HB2 1 34 PRO QD . . 4.180 3.798 3.475 3.984 . 0 0 "[ . 1 . 2]" 1
755 1 33 GLU H 1 33 GLU HB3 . . 3.570 3.504 3.403 3.528 . 0 0 "[ . 1 . 2]" 1
756 1 33 GLU HB3 1 41 ILE MD . . 5.010 4.410 3.623 4.978 . 0 0 "[ . 1 . 2]" 1
757 1 33 GLU HB3 1 66 THR MG . . 5.500 5.160 4.757 5.435 . 0 0 "[ . 1 . 2]" 1
758 1 24 GLN QB 1 25 THR HA . . 5.060 4.244 3.987 4.907 . 0 0 "[ . 1 . 2]" 1
759 1 50 GLU H 1 50 GLU HB3 . . 3.630 3.497 3.450 3.520 . 0 0 "[ . 1 . 2]" 1
760 1 49 TYR HB2 1 50 GLU HB3 . . 5.500 5.484 5.310 5.582 0.082 7 0 "[ . 1 . 2]" 1
761 1 50 GLU HB3 1 77 THR MG . . 4.190 3.623 3.154 4.069 . 0 0 "[ . 1 . 2]" 1
762 1 50 GLU HB3 1 52 ASP H . . 4.500 3.388 2.961 3.626 . 0 0 "[ . 1 . 2]" 1
763 1 19 GLN HB3 1 100 VAL MG2 . . 4.280 3.997 3.151 4.284 0.004 15 0 "[ . 1 . 2]" 1
764 1 19 GLN HB3 1 29 LEU MD2 . . 5.040 4.703 4.173 5.047 0.007 16 0 "[ . 1 . 2]" 1
765 1 50 GLU HB2 1 79 TYR QE . . 4.640 4.344 3.850 4.609 . 0 0 "[ . 1 . 2]" 1
766 1 50 GLU HB2 1 53 LYS HG2 . . 4.750 4.182 2.911 4.678 . 0 0 "[ . 1 . 2]" 1
767 1 50 GLU HB2 1 53 LYS HG3 . . 4.750 3.989 2.756 4.505 . 0 0 "[ . 1 . 2]" 1
768 1 50 GLU HB2 1 51 LYS H . . 4.860 4.538 4.486 4.577 . 0 0 "[ . 1 . 2]" 1
769 1 31 TRP HZ2 1 66 THR HA . . 3.640 3.025 2.540 3.390 . 0 0 "[ . 1 . 2]" 1
770 1 31 TRP HD1 1 66 THR HA . . 4.480 4.381 4.064 4.517 0.037 13 0 "[ . 1 . 2]" 1
771 1 31 TRP HE1 1 66 THR HA . . 3.550 2.912 2.440 3.205 . 0 0 "[ . 1 . 2]" 1
772 1 65 THR MG 1 66 THR HA . . 4.700 4.480 4.322 4.667 . 0 0 "[ . 1 . 2]" 1
773 1 8 GLN HB3 1 89 ALA MB . . 4.080 3.096 2.018 3.754 . 0 0 "[ . 1 . 2]" 1
774 1 50 GLU HB2 1 53 LYS HA . . 5.250 4.712 4.446 5.264 0.014 6 0 "[ . 1 . 2]" 1
775 1 50 GLU HB2 1 77 THR MG . . 5.120 4.536 4.176 4.941 . 0 0 "[ . 1 . 2]" 1
776 1 51 LYS HD2 1 78 ARG HD3 . . 5.480 5.405 5.145 5.488 0.008 12 0 "[ . 1 . 2]" 1
777 1 51 LYS HD2 1 80 VAL MG2 . . 4.380 2.481 2.019 4.303 . 0 0 "[ . 1 . 2]" 1
778 1 51 LYS HD2 1 78 ARG HD2 . . 5.480 5.304 4.875 5.424 . 0 0 "[ . 1 . 2]" 1
779 1 51 LYS HD3 1 78 ARG HD2 . . 4.720 4.456 4.227 4.681 . 0 0 "[ . 1 . 2]" 1
780 1 51 LYS HA 1 51 LYS HD3 . . 4.370 3.406 2.899 4.156 . 0 0 "[ . 1 . 2]" 1
781 1 51 LYS HD3 1 78 ARG HD3 . . 4.720 4.080 3.741 4.306 . 0 0 "[ . 1 . 2]" 1
782 1 51 LYS HB2 1 51 LYS HD3 . . 3.640 2.392 2.185 2.591 . 0 0 "[ . 1 . 2]" 1
783 1 47 LYS HD2 1 94 PHE HZ . . 4.680 3.695 2.258 4.322 . 0 0 "[ . 1 . 2]" 1
784 1 47 LYS HD2 1 94 PHE QE . . 4.940 3.444 2.265 4.264 . 0 0 "[ . 1 . 2]" 1
785 1 47 LYS HD3 1 94 PHE HZ . . 4.680 3.802 2.321 4.533 . 0 0 "[ . 1 . 2]" 1
786 1 47 LYS HD3 1 94 PHE QE . . 4.940 3.409 2.593 4.196 . 0 0 "[ . 1 . 2]" 1
787 1 104 LYS H 1 104 LYS QD . . 4.610 3.900 1.866 4.546 . 0 0 "[ . 1 . 2]" 1
788 1 104 LYS QD 1 105 PRO HD2 . . 4.650 3.321 2.124 4.550 . 0 0 "[ . 1 . 2]" 1
789 1 25 THR HA 1 25 THR MG . . 2.940 2.421 2.294 2.664 . 0 0 "[ . 1 . 2]" 1
790 1 25 THR HA 1 73 LEU HB2 . . 3.560 2.760 2.290 3.259 . 0 0 "[ . 1 . 2]" 1
791 1 36 GLN H 1 36 GLN HB3 . . 4.190 3.738 3.227 4.064 . 0 0 "[ . 1 . 2]" 1
792 1 12 SER HG 1 36 GLN HB3 . . 5.380 5.061 4.261 5.383 0.003 15 0 "[ . 1 . 2]" 1
793 1 24 GLN HA 1 103 GLY H . . 3.400 2.277 2.051 2.576 . 0 0 "[ . 1 . 2]" 1
794 1 24 GLN HA 1 102 THR HB . . 3.470 2.984 2.570 3.469 . 0 0 "[ . 1 . 2]" 1
795 1 24 GLN HA 1 103 GLY HA3 . . 3.850 2.705 2.007 3.016 . 0 0 "[ . 1 . 2]" 1
796 1 24 GLN HA 1 24 GLN HG2 . . 3.560 2.592 2.141 3.448 . 0 0 "[ . 1 . 2]" 1
797 1 24 GLN HA 1 24 GLN HG3 . . 3.560 2.646 2.141 3.158 . 0 0 "[ . 1 . 2]" 1
798 1 24 GLN HA 1 102 THR MG . . 4.970 4.287 3.765 4.814 . 0 0 "[ . 1 . 2]" 1
799 1 49 TYR QE 1 54 GLU HA . . 4.670 3.491 2.443 4.033 . 0 0 "[ . 1 . 2]" 1
800 1 49 TYR HB3 1 54 GLU HA . . 5.460 5.031 4.192 5.426 . 0 0 "[ . 1 . 2]" 1
801 1 49 TYR HB2 1 54 GLU HA . . 3.910 3.680 2.793 3.995 0.085 7 0 "[ . 1 . 2]" 1
802 1 49 TYR QD 1 54 GLU HA . . 3.960 2.813 1.982 3.293 . 0 0 "[ . 1 . 2]" 1
803 1 54 GLU HA 1 54 GLU HG2 . . 3.770 2.765 2.266 3.554 . 0 0 "[ . 1 . 2]" 1
804 1 54 GLU HA 1 54 GLU HG3 . . 3.770 2.841 2.153 3.682 . 0 0 "[ . 1 . 2]" 1
805 1 36 GLN H 1 36 GLN HB2 . . 4.190 2.744 2.479 3.734 . 0 0 "[ . 1 . 2]" 1
806 1 12 SER QB 1 36 GLN HB2 . . 4.280 3.084 2.272 3.997 . 0 0 "[ . 1 . 2]" 1
807 1 62 LYS HA 1 62 LYS HD3 . . 4.290 3.106 2.202 3.893 . 0 0 "[ . 1 . 2]" 1
808 1 96 GLN QB 1 97 ALA MB . . 4.410 4.124 3.922 4.310 . 0 0 "[ . 1 . 2]" 1
809 1 96 GLN H 1 96 GLN QB . . 3.150 2.347 2.176 2.903 . 0 0 "[ . 1 . 2]" 1
810 1 95 SER HA 1 96 GLN QB . . 4.760 4.596 4.484 4.790 0.030 14 0 "[ . 1 . 2]" 1
811 1 35 GLU HA 1 35 GLU HG3 . . 3.870 3.342 3.182 3.823 . 0 0 "[ . 1 . 2]" 1
812 1 49 TYR QD 1 51 LYS HA . . 3.970 3.434 2.963 3.912 . 0 0 "[ . 1 . 2]" 1
813 1 49 TYR QE 1 51 LYS HA . . 3.730 2.569 1.978 3.024 . 0 0 "[ . 1 . 2]" 1
814 1 51 LYS HA 1 51 LYS HD2 . . 4.110 2.562 2.212 3.757 . 0 0 "[ . 1 . 2]" 1
815 1 51 LYS HA 1 51 LYS HG3 . . 3.700 3.206 3.004 3.603 . 0 0 "[ . 1 . 2]" 1
816 1 41 ILE H 1 41 ILE HG12 . . 4.320 3.886 3.556 4.140 . 0 0 "[ . 1 . 2]" 1
817 1 41 ILE H 1 41 ILE HG13 . . 4.320 2.514 2.215 2.774 . 0 0 "[ . 1 . 2]" 1
818 1 41 ILE HA 1 41 ILE HG13 . . 4.180 2.773 2.641 2.993 . 0 0 "[ . 1 . 2]" 1
819 1 37 PRO HB3 1 41 ILE HG13 . . 4.710 3.326 2.945 3.613 . 0 0 "[ . 1 . 2]" 1
820 1 41 ILE HG13 1 85 ALA MB . . 4.260 3.969 3.389 4.207 . 0 0 "[ . 1 . 2]" 1
821 1 12 SER HA 1 13 GLN H . . 3.310 2.370 2.140 2.586 . 0 0 "[ . 1 . 2]" 1
822 1 41 ILE HG12 1 85 ALA MB . . 4.260 2.565 1.985 2.928 . 0 0 "[ . 1 . 2]" 1
823 1 31 TRP HH2 1 46 ILE HG13 . . 4.510 4.103 3.898 4.317 . 0 0 "[ . 1 . 2]" 1
824 1 46 ILE H 1 46 ILE HG13 . . 3.710 2.790 2.491 3.348 . 0 0 "[ . 1 . 2]" 1
825 1 45 GLU HA 1 46 ILE HG13 . . 4.460 3.691 3.322 4.467 0.007 1 0 "[ . 1 . 2]" 1
826 1 46 ILE HA 1 46 ILE HG13 . . 3.890 2.705 2.352 2.810 . 0 0 "[ . 1 . 2]" 1
827 1 46 ILE HG13 1 63 ALA MB . . 4.250 3.710 3.271 4.266 0.016 20 0 "[ . 1 . 2]" 1
828 1 46 ILE H 1 46 ILE HG12 . . 4.490 4.129 3.938 4.261 . 0 0 "[ . 1 . 2]" 1
829 1 46 ILE HG12 1 63 ALA MB . . 4.570 4.409 3.955 4.581 0.011 15 0 "[ . 1 . 2]" 1
830 1 29 LEU MD1 1 46 ILE HG12 . . 4.420 3.273 2.221 3.753 . 0 0 "[ . 1 . 2]" 1
831 1 31 TRP HZ3 1 46 ILE HG12 . . 4.780 3.841 3.112 4.170 . 0 0 "[ . 1 . 2]" 1
832 1 46 ILE HA 1 46 ILE HG12 . . 4.030 2.915 2.780 3.512 . 0 0 "[ . 1 . 2]" 1
833 1 13 GLN HG3 1 95 SER HA . . 4.050 3.224 2.074 3.873 . 0 0 "[ . 1 . 2]" 1
834 1 17 ILE HG12 1 31 TRP HE3 . . 4.810 3.797 3.503 3.992 . 0 0 "[ . 1 . 2]" 1
835 1 17 ILE HG12 1 18 ARG H . . 4.280 4.060 3.734 4.287 0.007 3 0 "[ . 1 . 2]" 1
836 1 78 ARG HG3 1 101 GLU HG3 . . 3.850 2.235 1.994 2.669 . 0 0 "[ . 1 . 2]" 1
837 1 78 ARG HG3 1 79 TYR H . . 4.890 4.781 4.633 4.901 0.011 15 0 "[ . 1 . 2]" 1
838 1 78 ARG HG3 1 101 GLU HA . . 4.770 4.056 3.569 4.439 . 0 0 "[ . 1 . 2]" 1
839 1 78 ARG HG2 1 79 TYR H . . 4.890 3.535 3.458 3.607 . 0 0 "[ . 1 . 2]" 1
840 1 78 ARG H 1 78 ARG HG2 . . 4.390 3.775 3.614 3.956 . 0 0 "[ . 1 . 2]" 1
841 1 78 ARG HG2 1 101 GLU HG3 . . 3.850 2.536 2.229 3.007 . 0 0 "[ . 1 . 2]" 1
842 1 17 ILE HG13 1 18 ARG H . . 4.990 4.778 4.580 4.949 . 0 0 "[ . 1 . 2]" 1
843 1 95 SER HA 1 96 GLN H . . 3.250 2.673 2.381 3.562 0.312 14 0 "[ . 1 . 2]" 1
844 1 13 GLN HE22 1 95 SER HA . . 4.410 3.461 2.895 4.342 . 0 0 "[ . 1 . 2]" 1
845 1 34 PRO HG3 1 85 ALA MB . . 4.260 2.867 2.426 3.089 . 0 0 "[ . 1 . 2]" 1
846 1 33 GLU HA 1 34 PRO HG2 . . 4.690 4.418 4.305 4.602 . 0 0 "[ . 1 . 2]" 1
847 1 34 PRO HG2 1 85 ALA MB . . 4.260 4.170 3.801 4.283 0.023 16 0 "[ . 1 . 2]" 1
848 1 33 GLU HA 1 34 PRO HG3 . . 4.690 4.408 4.343 4.540 . 0 0 "[ . 1 . 2]" 1
849 1 34 PRO HG3 1 41 ILE MD . . 4.060 2.564 1.850 2.928 . 0 0 "[ . 1 . 2]" 1
850 1 11 PRO HG3 1 92 GLY H . . 4.370 3.863 3.137 4.382 0.012 20 0 "[ . 1 . 2]" 1
851 1 11 PRO HG3 1 85 ALA MB . . 3.690 3.170 2.614 3.594 . 0 0 "[ . 1 . 2]" 1
852 1 11 PRO HG3 1 41 ILE MD . . 5.040 4.814 4.452 5.022 . 0 0 "[ . 1 . 2]" 1
853 1 11 PRO HG2 1 41 ILE MD . . 5.500 5.381 4.909 5.519 0.019 12 0 "[ . 1 . 2]" 1
854 1 11 PRO HG2 1 92 GLY H . . 4.280 3.075 2.253 3.843 . 0 0 "[ . 1 . 2]" 1
855 1 11 PRO HG2 1 85 ALA MB . . 3.800 3.269 2.773 3.695 . 0 0 "[ . 1 . 2]" 1
856 1 11 PRO HG2 1 87 THR MG . . 4.030 3.717 3.446 4.050 0.020 17 0 "[ . 1 . 2]" 1
857 1 37 PRO HG2 1 39 GLY H . . 4.550 2.712 2.582 2.918 . 0 0 "[ . 1 . 2]" 1
858 1 40 ILE H 1 40 ILE HG12 . . 4.100 3.898 2.961 4.108 0.008 18 0 "[ . 1 . 2]" 1
859 1 40 ILE HA 1 40 ILE HG12 . . 3.610 3.445 2.765 3.590 . 0 0 "[ . 1 . 2]" 1
860 1 40 ILE HG13 1 41 ILE H . . 5.200 4.370 4.177 5.172 . 0 0 "[ . 1 . 2]" 1
861 1 40 ILE H 1 40 ILE HG13 . . 4.100 3.312 2.906 4.078 . 0 0 "[ . 1 . 2]" 1
862 1 40 ILE HA 1 40 ILE HG13 . . 3.610 2.456 2.192 3.690 0.080 10 0 "[ . 1 . 2]" 1
863 1 37 PRO HG2 1 38 ASN H . . 4.170 2.691 2.275 3.441 . 0 0 "[ . 1 . 2]" 1
864 1 74 LYS HA 1 75 PRO HG2 . . 4.460 4.345 4.255 4.396 . 0 0 "[ . 1 . 2]" 1
865 1 25 THR MG 1 75 PRO HG2 . . 4.800 4.584 4.213 4.739 . 0 0 "[ . 1 . 2]" 1
866 1 74 LYS HA 1 75 PRO HG3 . . 4.570 4.367 4.327 4.394 . 0 0 "[ . 1 . 2]" 1
867 1 25 THR MG 1 75 PRO HG3 . . 3.580 3.512 3.257 3.587 0.007 9 0 "[ . 1 . 2]" 1
868 1 61 LEU H 1 61 LEU HG . . 4.700 4.490 4.295 4.649 . 0 0 "[ . 1 . 2]" 1
869 1 48 TYR QE 1 61 LEU HG . . 5.200 4.893 4.558 5.127 . 0 0 "[ . 1 . 2]" 1
870 1 46 ILE MD 1 61 LEU HG . . 4.190 3.275 2.675 3.888 . 0 0 "[ . 1 . 2]" 1
871 1 93 ARG QG 1 94 PHE H . . 4.740 3.733 3.197 4.297 . 0 0 "[ . 1 . 2]" 1
872 1 93 ARG H 1 93 ARG QG . . 3.700 2.883 2.250 3.518 . 0 0 "[ . 1 . 2]" 1
873 1 93 ARG HA 1 93 ARG QG . . 3.470 2.380 2.194 2.598 . 0 0 "[ . 1 . 2]" 1
874 1 20 GLU HA 1 20 GLU HG2 . . 3.910 2.465 2.132 2.811 . 0 0 "[ . 1 . 2]" 1
875 1 42 LEU H 1 42 LEU HG . . 3.710 2.061 1.907 2.350 . 0 0 "[ . 1 . 2]" 1
876 1 30 LEU H 1 30 LEU HG . . 5.020 4.207 3.574 4.822 . 0 0 "[ . 1 . 2]" 1
877 1 30 LEU HG 1 31 TRP H . . 5.200 4.398 3.430 5.172 . 0 0 "[ . 1 . 2]" 1
878 1 20 GLU HA 1 20 GLU HG3 . . 3.910 3.509 2.652 3.648 . 0 0 "[ . 1 . 2]" 1
879 1 18 ARG H 1 18 ARG HG2 . . 4.440 4.050 2.932 4.254 . 0 0 "[ . 1 . 2]" 1
880 1 29 LEU H 1 29 LEU HG . . 4.100 3.067 2.830 3.505 . 0 0 "[ . 1 . 2]" 1
881 1 29 LEU HG 1 30 LEU H . . 5.110 4.929 4.667 5.105 . 0 0 "[ . 1 . 2]" 1
882 1 48 TYR QE 1 61 LEU MD2 . . 4.130 3.581 2.865 4.033 . 0 0 "[ . 1 . 2]" 1
883 1 61 LEU MD2 1 62 LYS H . . 4.660 4.224 3.622 4.529 . 0 0 "[ . 1 . 2]" 1
884 1 61 LEU HA 1 61 LEU MD2 . . 4.100 3.917 3.831 3.991 . 0 0 "[ . 1 . 2]" 1
885 1 96 GLN HA 1 97 ALA H . . 2.750 2.250 2.180 2.413 . 0 0 "[ . 1 . 2]" 1
886 1 67 ARG H 1 67 ARG HG2 . . 4.540 4.047 3.639 4.482 . 0 0 "[ . 1 . 2]" 1
887 1 67 ARG H 1 67 ARG HG3 . . 4.540 2.912 2.454 3.746 . 0 0 "[ . 1 . 2]" 1
888 1 52 ASP H 1 52 ASP HA . . 2.940 2.852 2.815 2.902 . 0 0 "[ . 1 . 2]" 1
889 1 51 LYS HA 1 52 ASP HA . . 4.830 4.718 4.652 4.772 . 0 0 "[ . 1 . 2]" 1
890 1 52 ASP HA 1 52 ASP QB . . 2.760 2.392 2.169 2.495 . 0 0 "[ . 1 . 2]" 1
891 1 13 GLN HA 1 13 GLN HG3 . . 4.230 2.817 2.182 3.531 . 0 0 "[ . 1 . 2]" 1
892 1 50 GLU HA 1 80 VAL H . . 4.340 4.238 3.894 4.369 0.029 19 0 "[ . 1 . 2]" 1
893 1 50 GLU HA 1 51 LYS H . . 2.900 2.152 2.138 2.175 . 0 0 "[ . 1 . 2]" 1
894 1 50 GLU HA 1 79 TYR QD . . 4.300 3.122 2.791 3.442 . 0 0 "[ . 1 . 2]" 1
895 1 50 GLU HA 1 79 TYR HA . . 3.220 3.007 2.598 3.197 . 0 0 "[ . 1 . 2]" 1
896 1 50 GLU HA 1 50 GLU HG3 . . 3.640 2.386 2.351 2.459 . 0 0 "[ . 1 . 2]" 1
897 1 50 GLU HA 1 51 LYS HB3 . . 4.520 4.363 4.272 4.425 . 0 0 "[ . 1 . 2]" 1
898 1 50 GLU HA 1 77 THR MG . . 3.980 3.277 2.966 3.586 . 0 0 "[ . 1 . 2]" 1
899 1 50 GLU HA 1 80 VAL MG2 . . 5.270 4.898 4.427 5.167 . 0 0 "[ . 1 . 2]" 1
900 1 21 ARG HA 1 22 ALA H . . 3.470 2.290 2.140 3.569 0.099 15 0 "[ . 1 . 2]" 1
901 1 21 ARG HA 1 21 ARG QD . . 4.340 3.857 2.257 4.275 . 0 0 "[ . 1 . 2]" 1
902 1 21 ARG HA 1 21 ARG QG . . 3.680 2.603 2.363 3.310 . 0 0 "[ . 1 . 2]" 1
903 1 93 ARG HA 1 93 ARG QD . . 4.430 3.657 2.075 4.165 . 0 0 "[ . 1 . 2]" 1
904 1 93 ARG HA 1 94 PHE HB2 . . 4.720 4.466 4.383 4.632 . 0 0 "[ . 1 . 2]" 1
905 1 73 LEU H 1 73 LEU MD1 . . 3.860 3.690 3.566 3.813 . 0 0 "[ . 1 . 2]" 1
906 1 73 LEU HB3 1 73 LEU MD1 . . 3.390 2.486 2.358 2.661 . 0 0 "[ . 1 . 2]" 1
907 1 73 LEU HB2 1 73 LEU MD1 . . 3.350 2.210 2.054 2.344 . 0 0 "[ . 1 . 2]" 1
908 1 41 ILE HA 1 42 LEU HA . . 4.840 4.398 4.360 4.454 . 0 0 "[ . 1 . 2]" 1
909 1 42 LEU HA 1 42 LEU HG . . 3.630 3.016 2.845 3.190 . 0 0 "[ . 1 . 2]" 1
910 1 41 ILE MG 1 42 LEU HA . . 4.650 4.152 3.851 4.404 . 0 0 "[ . 1 . 2]" 1
911 1 73 LEU MD1 1 74 LYS H . . 4.790 4.337 4.205 4.552 . 0 0 "[ . 1 . 2]" 1
912 1 73 LEU MD1 1 79 TYR QE . . 4.230 3.967 3.649 4.258 0.028 17 0 "[ . 1 . 2]" 1
913 1 73 LEU MD1 1 81 PHE QE . . 4.140 2.986 2.665 3.441 . 0 0 "[ . 1 . 2]" 1
914 1 73 LEU MD1 1 81 PHE HZ . . 3.500 2.322 2.086 2.615 . 0 0 "[ . 1 . 2]" 1
915 1 70 VAL HB 1 73 LEU MD1 . . 3.930 2.756 2.443 3.108 . 0 0 "[ . 1 . 2]" 1
916 1 27 VAL HB 1 73 LEU MD1 . . 3.890 2.953 2.730 3.538 . 0 0 "[ . 1 . 2]" 1
917 1 29 LEU H 1 29 LEU MD1 . . 4.630 4.058 3.870 4.223 . 0 0 "[ . 1 . 2]" 1
918 1 29 LEU MD1 1 81 PHE QD . . 3.610 2.409 2.045 2.980 . 0 0 "[ . 1 . 2]" 1
919 1 29 LEU MD1 1 31 TRP HE3 . . 4.200 3.946 3.701 4.182 . 0 0 "[ . 1 . 2]" 1
920 1 29 LEU MD1 1 81 PHE QE . . 4.190 3.490 3.220 3.997 . 0 0 "[ . 1 . 2]" 1
921 1 29 LEU MD1 1 31 TRP HZ3 . . 3.900 3.451 3.056 3.858 . 0 0 "[ . 1 . 2]" 1
922 1 29 LEU HA 1 29 LEU MD1 . . 4.380 3.881 3.828 3.950 . 0 0 "[ . 1 . 2]" 1
923 1 29 LEU MD1 1 81 PHE HB2 . . 4.230 3.046 2.502 3.457 . 0 0 "[ . 1 . 2]" 1
924 1 29 LEU MD1 1 81 PHE HB3 . . 3.820 2.213 1.913 2.442 . 0 0 "[ . 1 . 2]" 1
925 1 29 LEU HB2 1 29 LEU MD1 . . 3.290 2.271 2.169 2.375 . 0 0 "[ . 1 . 2]" 1
926 1 29 LEU HB3 1 29 LEU MD1 . . 3.380 2.421 2.301 2.503 . 0 0 "[ . 1 . 2]" 1
927 1 29 LEU MD1 1 83 VAL QG . . 3.820 2.612 2.284 2.901 . 0 0 "[ . 1 . 2]" 1
928 1 8 GLN HA 1 9 ALA H . . 3.030 2.366 2.141 2.564 . 0 0 "[ . 1 . 2]" 1
929 1 7 GLY QA 1 8 GLN HA . . 4.430 3.961 3.931 4.100 . 0 0 "[ . 1 . 2]" 1
930 1 8 GLN HA 1 8 GLN QG . . 3.330 2.484 2.192 2.924 . 0 0 "[ . 1 . 2]" 1
931 1 8 GLN HA 1 9 ALA MB . . 4.100 4.004 3.866 4.077 . 0 0 "[ . 1 . 2]" 1
932 1 8 GLN HA 1 89 ALA MB . . 4.650 4.082 1.958 4.645 . 0 0 "[ . 1 . 2]" 1
933 1 42 LEU H 1 42 LEU MD1 . . 4.120 3.301 3.130 3.505 . 0 0 "[ . 1 . 2]" 1
934 1 42 LEU MD1 1 43 GLU H . . 4.450 3.880 3.569 4.103 . 0 0 "[ . 1 . 2]" 1
935 1 42 LEU MD1 1 87 THR HA . . 4.010 3.232 2.767 3.630 . 0 0 "[ . 1 . 2]" 1
936 1 42 LEU HA 1 42 LEU MD1 . . 4.090 3.949 3.903 3.984 . 0 0 "[ . 1 . 2]" 1
937 1 42 LEU HB2 1 42 LEU MD1 . . 2.940 2.133 2.042 2.260 . 0 0 "[ . 1 . 2]" 1
938 1 42 LEU HB3 1 42 LEU MD1 . . 2.940 2.575 2.471 2.667 . 0 0 "[ . 1 . 2]" 1
939 1 42 LEU MD1 1 88 SER H . . 4.730 2.855 2.497 3.375 . 0 0 "[ . 1 . 2]" 1
940 1 30 LEU H 1 30 LEU MD1 . . 4.800 4.387 4.123 4.689 . 0 0 "[ . 1 . 2]" 1
941 1 30 LEU MD1 1 31 TRP H . . 5.150 4.041 2.424 4.794 . 0 0 "[ . 1 . 2]" 1
942 1 30 LEU MD1 1 31 TRP HA . . 5.500 5.424 4.307 5.659 0.159 8 0 "[ . 1 . 2]" 1
943 1 30 LEU MD1 1 67 ARG HA . . 5.500 4.181 2.721 5.454 . 0 0 "[ . 1 . 2]" 1
944 1 20 GLU HG2 1 30 LEU MD1 . . 4.190 2.503 1.956 3.972 . 0 0 "[ . 1 . 2]" 1
945 1 20 GLU HB3 1 30 LEU MD1 . . 5.060 4.522 4.244 5.038 . 0 0 "[ . 1 . 2]" 1
946 1 62 LYS H 1 62 LYS HG2 . . 4.300 3.679 2.544 4.292 . 0 0 "[ . 1 . 2]" 1
947 1 62 LYS QE 1 62 LYS HG2 . . 3.890 2.435 2.070 3.049 . 0 0 "[ . 1 . 2]" 1
948 1 62 LYS H 1 62 LYS HG3 . . 4.300 3.932 3.566 4.137 . 0 0 "[ . 1 . 2]" 1
949 1 47 LYS HG3 1 49 TYR QD . . 4.850 3.688 3.186 4.014 . 0 0 "[ . 1 . 2]" 1
950 1 47 LYS HG3 1 58 TYR QE . . 5.230 3.790 3.219 4.708 . 0 0 "[ . 1 . 2]" 1
951 1 47 LYS HG2 1 58 TYR QD . . 4.530 3.846 3.407 4.346 . 0 0 "[ . 1 . 2]" 1
952 1 20 GLU HA 1 30 LEU MD1 . . 5.500 4.478 3.804 5.434 . 0 0 "[ . 1 . 2]" 1
953 1 30 LEU MD1 1 67 ARG QD . . 4.690 3.623 2.380 4.779 0.089 11 0 "[ . 1 . 2]" 1
954 1 82 GLN HA 1 83 VAL H . . 3.140 2.153 2.139 2.176 . 0 0 "[ . 1 . 2]" 1
955 1 82 GLN HA 1 95 SER H . . 4.490 4.026 3.591 4.338 . 0 0 "[ . 1 . 2]" 1
956 1 82 GLN HA 1 94 PHE QD . . 4.720 4.044 3.839 4.291 . 0 0 "[ . 1 . 2]" 1
957 1 82 GLN HA 1 82 GLN HG2 . . 3.900 2.401 2.207 2.815 . 0 0 "[ . 1 . 2]" 1
958 1 82 GLN HA 1 82 GLN HG3 . . 3.900 3.112 2.609 3.730 . 0 0 "[ . 1 . 2]" 1
959 1 17 ILE MG 1 82 GLN HA . . 5.170 4.977 4.237 5.211 0.041 12 0 "[ . 1 . 2]" 1
960 1 74 LYS HA 1 74 LYS HG2 . . 3.780 2.717 2.425 2.835 . 0 0 "[ . 1 . 2]" 1
961 1 61 LEU H 1 61 LEU MD1 . . 4.580 4.365 4.028 4.575 . 0 0 "[ . 1 . 2]" 1
962 1 61 LEU MD1 1 62 LYS H . . 3.120 2.811 2.367 3.127 0.007 11 0 "[ . 1 . 2]" 1
963 1 61 LEU MD1 1 71 SER H . . 4.210 3.861 3.407 4.215 0.005 7 0 "[ . 1 . 2]" 1
964 1 48 TYR QE 1 61 LEU MD1 . . 4.290 3.381 2.184 3.945 . 0 0 "[ . 1 . 2]" 1
965 1 61 LEU MD1 1 62 LYS HA . . 5.500 5.037 4.584 5.470 . 0 0 "[ . 1 . 2]" 1
966 1 61 LEU HA 1 61 LEU MD1 . . 3.010 2.284 2.045 2.660 . 0 0 "[ . 1 . 2]" 1
967 1 61 LEU MD1 1 70 VAL HA . . 3.700 3.506 2.685 3.708 0.008 16 0 "[ . 1 . 2]" 1
968 1 61 LEU MD1 1 70 VAL MG2 . . 4.050 3.829 2.899 4.055 0.005 15 0 "[ . 1 . 2]" 1
969 1 61 LEU MD1 1 70 VAL MG1 . . 4.070 3.909 3.313 4.091 0.021 12 0 "[ . 1 . 2]" 1
970 1 104 LYS HA 1 104 LYS HG2 . . 4.000 2.523 2.156 3.628 . 0 0 "[ . 1 . 2]" 1
971 1 76 GLY HA2 1 104 LYS HG2 . . 4.780 2.603 1.994 4.227 . 0 0 "[ . 1 . 2]" 1
972 1 76 GLY HA3 1 104 LYS HG2 . . 4.780 2.759 2.008 4.170 . 0 0 "[ . 1 . 2]" 1
973 1 76 GLY HA3 1 104 LYS HG3 . . 4.780 3.779 2.001 4.761 . 0 0 "[ . 1 . 2]" 1
974 1 84 ARG H 1 84 ARG HG2 . . 4.630 2.846 2.306 3.874 . 0 0 "[ . 1 . 2]" 1
975 1 30 LEU MD2 1 31 TRP H . . 5.150 3.792 2.807 5.020 . 0 0 "[ . 1 . 2]" 1
976 1 30 LEU MD2 1 31 TRP HA . . 5.500 5.158 4.912 5.506 0.006 17 0 "[ . 1 . 2]" 1
977 1 20 GLU HA 1 30 LEU MD2 . . 5.500 4.878 3.667 5.677 0.177 14 0 "[ . 1 . 2]" 1
978 1 20 GLU HG3 1 30 LEU MD2 . . 4.190 2.856 1.959 3.510 . 0 0 "[ . 1 . 2]" 1
979 1 20 GLU HG2 1 30 LEU MD2 . . 4.190 3.049 2.000 4.313 0.123 14 0 "[ . 1 . 2]" 1
980 1 20 GLU HB2 1 30 LEU MD2 . . 5.060 4.289 3.933 4.581 . 0 0 "[ . 1 . 2]" 1
981 1 20 GLU HB3 1 30 LEU MD2 . . 5.060 4.829 4.279 5.108 0.048 14 0 "[ . 1 . 2]" 1
982 1 53 LYS HA 1 53 LYS HG2 . . 3.970 2.998 2.677 3.195 . 0 0 "[ . 1 . 2]" 1
983 1 50 GLU HB3 1 53 LYS HG2 . . 4.230 3.073 2.041 3.443 . 0 0 "[ . 1 . 2]" 1
984 1 51 LYS HG2 1 52 ASP H . . 4.200 4.047 3.775 4.276 0.076 7 0 "[ . 1 . 2]" 1
985 1 51 LYS QE 1 51 LYS HG2 . . 3.500 2.496 2.161 3.014 . 0 0 "[ . 1 . 2]" 1
986 1 51 LYS HG2 1 78 ARG HB3 . . 3.820 2.253 1.992 2.495 . 0 0 "[ . 1 . 2]" 1
987 1 51 LYS H 1 51 LYS HG2 . . 4.670 4.488 3.612 4.625 . 0 0 "[ . 1 . 2]" 1
988 1 51 LYS HG3 1 52 ASP HA . . 4.760 3.198 3.100 3.337 . 0 0 "[ . 1 . 2]" 1
989 1 50 GLU HB3 1 53 LYS HG3 . . 4.230 3.503 2.833 3.916 . 0 0 "[ . 1 . 2]" 1
990 1 51 LYS HG3 1 78 ARG HB2 . . 3.940 3.777 2.790 3.958 0.018 12 0 "[ . 1 . 2]" 1
991 1 51 LYS HG3 1 78 ARG HB3 . . 3.690 3.555 2.979 3.709 0.019 10 0 "[ . 1 . 2]" 1
992 1 53 LYS H 1 53 LYS HG3 . . 4.270 3.707 3.379 4.216 . 0 0 "[ . 1 . 2]" 1
993 1 19 GLN HA 1 20 GLU H . . 3.220 2.155 2.139 2.174 . 0 0 "[ . 1 . 2]" 1
994 1 19 GLN HA 1 29 LEU HA . . 3.420 2.643 2.400 2.934 . 0 0 "[ . 1 . 2]" 1
995 1 19 GLN HA 1 19 GLN HG3 . . 3.930 2.900 2.495 3.620 . 0 0 "[ . 1 . 2]" 1
996 1 31 TRP H 1 67 ARG HA . . 4.150 4.073 3.662 4.199 0.049 17 0 "[ . 1 . 2]" 1
997 1 31 TRP HE3 1 67 ARG HA . . 4.720 4.571 4.180 4.729 0.009 17 0 "[ . 1 . 2]" 1
998 1 31 TRP HZ3 1 67 ARG HA . . 3.950 3.864 3.644 3.960 0.010 11 0 "[ . 1 . 2]" 1
999 1 30 LEU MD2 1 67 ARG HA . . 5.500 3.942 2.424 5.552 0.052 16 0 "[ . 1 . 2]" 1
1000 1 104 LYS HA 1 105 PRO HD3 . . 2.880 2.290 2.259 2.316 . 0 0 "[ . 1 . 2]" 1
1001 1 104 LYS HA 1 104 LYS QD . . 3.920 3.471 2.390 3.972 0.052 2 0 "[ . 1 . 2]" 1
1002 1 76 GLY H 1 104 LYS HA . . 4.000 2.528 2.327 2.771 . 0 0 "[ . 1 . 2]" 1
1003 1 104 LYS HA 1 104 LYS HG3 . . 4.000 3.105 2.351 3.719 . 0 0 "[ . 1 . 2]" 1
1004 1 79 TYR QD 1 102 THR MG . . 3.880 2.605 2.204 2.918 . 0 0 "[ . 1 . 2]" 1
1005 1 102 THR HG1 1 102 THR MG . . 3.190 2.188 1.940 2.649 . 0 0 "[ . 1 . 2]" 1
1006 1 101 GLU HA 1 102 THR MG . . 4.800 3.809 3.570 4.157 . 0 0 "[ . 1 . 2]" 1
1007 1 102 THR HA 1 102 THR MG . . 3.090 2.287 2.113 2.382 . 0 0 "[ . 1 . 2]" 1
1008 1 77 THR HB 1 102 THR MG . . 4.580 4.332 3.836 4.583 0.003 15 0 "[ . 1 . 2]" 1
1009 1 73 LEU MD1 1 102 THR MG . . 3.150 2.545 1.913 2.834 . 0 0 "[ . 1 . 2]" 1
1010 1 102 THR MG 1 103 GLY H . . 4.000 3.533 3.305 3.703 . 0 0 "[ . 1 . 2]" 1
1011 1 79 TYR QE 1 102 THR MG . . 3.540 3.270 3.032 3.539 . 0 0 "[ . 1 . 2]" 1
1012 1 25 THR HA 1 102 THR MG . . 3.990 3.401 2.796 3.999 0.009 15 0 "[ . 1 . 2]" 1
1013 1 27 VAL MG2 1 102 THR MG . . 4.270 2.374 1.890 4.305 0.035 12 0 "[ . 1 . 2]" 1
1014 1 11 PRO HA 1 38 ASN HA . . 5.060 4.960 4.762 5.098 0.038 17 0 "[ . 1 . 2]" 1
1015 1 44 TYR H 1 63 ALA MB . . 3.950 3.572 3.245 3.937 . 0 0 "[ . 1 . 2]" 1
1016 1 63 ALA H 1 63 ALA MB . . 3.190 2.516 2.399 2.619 . 0 0 "[ . 1 . 2]" 1
1017 1 63 ALA MB 1 64 VAL H . . 3.400 3.056 2.959 3.129 . 0 0 "[ . 1 . 2]" 1
1018 1 63 ALA MB 1 65 THR H . . 3.200 3.069 2.784 3.198 . 0 0 "[ . 1 . 2]" 1
1019 1 31 TRP HZ2 1 63 ALA MB . . 3.250 2.758 2.447 3.103 . 0 0 "[ . 1 . 2]" 1
1020 1 31 TRP HH2 1 63 ALA MB . . 3.070 2.455 2.142 2.714 . 0 0 "[ . 1 . 2]" 1
1021 1 62 LYS HA 1 63 ALA MB . . 4.210 3.948 3.860 4.021 . 0 0 "[ . 1 . 2]" 1
1022 1 44 TYR HB2 1 63 ALA MB . . 3.230 2.915 2.643 3.239 0.009 16 0 "[ . 1 . 2]" 1
1023 1 29 LEU H 1 29 LEU MD2 . . 4.370 3.878 3.575 4.226 . 0 0 "[ . 1 . 2]" 1
1024 1 29 LEU MD2 1 30 LEU H . . 3.960 3.355 2.786 3.738 . 0 0 "[ . 1 . 2]" 1
1025 1 19 GLN H 1 29 LEU MD2 . . 5.460 4.751 4.410 5.140 . 0 0 "[ . 1 . 2]" 1
1026 1 28 SER H 1 29 LEU MD2 . . 5.500 4.566 3.998 5.217 . 0 0 "[ . 1 . 2]" 1
1027 1 29 LEU MD2 1 81 PHE H . . 5.500 4.976 4.573 5.433 . 0 0 "[ . 1 . 2]" 1
1028 1 29 LEU MD2 1 81 PHE QD . . 4.130 3.201 2.821 3.558 . 0 0 "[ . 1 . 2]" 1
1029 1 29 LEU MD2 1 31 TRP HE3 . . 4.850 4.645 4.171 4.866 0.016 11 0 "[ . 1 . 2]" 1
1030 1 29 LEU MD2 1 81 PHE HB3 . . 4.120 3.323 2.640 3.824 . 0 0 "[ . 1 . 2]" 1
1031 1 19 GLN HB2 1 29 LEU MD2 . . 3.960 3.341 2.770 3.721 . 0 0 "[ . 1 . 2]" 1
1032 1 29 LEU MD2 1 81 PHE QE . . 4.560 3.880 3.631 4.287 . 0 0 "[ . 1 . 2]" 1
1033 1 29 LEU MD2 1 31 TRP HZ3 . . 5.340 4.998 4.722 5.205 . 0 0 "[ . 1 . 2]" 1
1034 1 29 LEU HA 1 29 LEU MD2 . . 3.210 2.180 1.964 2.436 . 0 0 "[ . 1 . 2]" 1
1035 1 19 GLN HA 1 29 LEU MD2 . . 3.480 2.947 2.560 3.296 . 0 0 "[ . 1 . 2]" 1
1036 1 29 LEU MD2 1 81 PHE HB2 . . 4.490 3.106 2.648 3.604 . 0 0 "[ . 1 . 2]" 1
1037 1 29 LEU HB3 1 29 LEU MD2 . . 3.240 2.279 2.142 2.391 . 0 0 "[ . 1 . 2]" 1
1038 1 17 ILE MG 1 29 LEU MD2 . . 3.460 2.602 2.187 3.004 . 0 0 "[ . 1 . 2]" 1
1039 1 97 ALA HA 1 98 MET H . . 3.310 2.172 2.144 2.183 . 0 0 "[ . 1 . 2]" 1
1040 1 73 LEU HA 1 74 LYS H . . 3.210 2.528 2.415 2.577 . 0 0 "[ . 1 . 2]" 1
1041 1 73 LEU HA 1 79 TYR QE . . 4.440 4.017 3.813 4.310 . 0 0 "[ . 1 . 2]" 1
1042 1 73 LEU HA 1 74 LYS QB . . 4.580 4.412 4.317 4.514 . 0 0 "[ . 1 . 2]" 1
1043 1 73 LEU HA 1 73 LEU HG . . 3.760 3.107 3.046 3.248 . 0 0 "[ . 1 . 2]" 1
1044 1 73 LEU HA 1 73 LEU MD1 . . 4.030 3.956 3.914 4.011 . 0 0 "[ . 1 . 2]" 1
1045 1 82 GLN HG2 1 97 ALA HA . . 3.940 2.845 2.579 3.213 . 0 0 "[ . 1 . 2]" 1
1046 1 82 GLN HB3 1 97 ALA HA . . 5.400 5.203 4.934 5.404 0.004 2 0 "[ . 1 . 2]" 1
1047 1 73 LEU HA 1 74 LYS HG3 . . 4.790 3.995 3.651 4.457 . 0 0 "[ . 1 . 2]" 1
1048 1 80 VAL MG1 1 81 PHE H . . 3.350 2.966 2.751 3.163 . 0 0 "[ . 1 . 2]" 1
1049 1 49 TYR QE 1 80 VAL MG1 . . 3.550 2.986 2.591 3.389 . 0 0 "[ . 1 . 2]" 1
1050 1 80 VAL MG1 1 97 ALA HA . . 3.860 2.877 2.661 3.081 . 0 0 "[ . 1 . 2]" 1
1051 1 80 VAL MG1 1 99 GLU HG2 . . 4.090 3.983 3.732 4.121 0.031 20 0 "[ . 1 . 2]" 1
1052 1 29 LEU H 1 68 ALA MB . . 4.370 4.176 3.831 4.376 0.006 10 0 "[ . 1 . 2]" 1
1053 1 68 ALA MB 1 69 THR H . . 3.230 2.530 2.328 2.763 . 0 0 "[ . 1 . 2]" 1
1054 1 31 TRP HZ2 1 68 ALA MB . . 4.350 3.933 3.637 4.183 . 0 0 "[ . 1 . 2]" 1
1055 1 31 TRP HE3 1 68 ALA MB . . 5.370 4.742 4.494 5.032 . 0 0 "[ . 1 . 2]" 1
1056 1 67 ARG H 1 68 ALA MB . . 4.530 4.330 4.111 4.580 0.050 15 0 "[ . 1 . 2]" 1
1057 1 31 TRP HH2 1 68 ALA MB . . 2.810 1.990 1.767 2.271 . 0 0 "[ . 1 . 2]" 1
1058 1 63 ALA HA 1 68 ALA MB . . 4.440 3.854 3.517 4.175 . 0 0 "[ . 1 . 2]" 1
1059 1 68 ALA MB 1 69 THR HA . . 4.290 3.983 3.858 4.126 . 0 0 "[ . 1 . 2]" 1
1060 1 67 ARG HA 1 68 ALA MB . . 4.270 3.965 3.815 4.013 . 0 0 "[ . 1 . 2]" 1
1061 1 68 ALA MB 1 69 THR HB . . 4.940 4.857 4.694 4.945 0.005 19 0 "[ . 1 . 2]" 1
1062 1 29 LEU MD1 1 68 ALA MB . . 4.420 4.024 3.148 4.381 . 0 0 "[ . 1 . 2]" 1
1063 1 85 ALA H 1 85 ALA MB . . 3.520 2.275 2.185 2.458 . 0 0 "[ . 1 . 2]" 1
1064 1 85 ALA MB 1 92 GLY H . . 4.810 4.576 3.680 4.820 0.010 20 0 "[ . 1 . 2]" 1
1065 1 85 ALA MB 1 86 ARG H . . 3.740 2.971 2.408 3.292 . 0 0 "[ . 1 . 2]" 1
1066 1 44 TYR HD1 1 85 ALA MB . . 5.070 4.552 3.085 5.085 0.015 12 0 "[ . 1 . 2]" 1
1067 1 44 TYR QE 1 85 ALA MB . . 3.410 2.280 1.958 3.145 . 0 0 "[ . 1 . 2]" 1
1068 1 84 ARG HA 1 85 ALA MB . . 4.320 3.900 3.831 3.969 . 0 0 "[ . 1 . 2]" 1
1069 1 34 PRO QD 1 85 ALA MB . . 4.120 3.470 3.020 3.731 . 0 0 "[ . 1 . 2]" 1
1070 1 11 PRO HB3 1 85 ALA MB . . 4.050 3.490 2.967 3.799 . 0 0 "[ . 1 . 2]" 1
1071 1 41 ILE MD 1 85 ALA MB . . 3.080 2.314 1.777 2.950 . 0 0 "[ . 1 . 2]" 1
1072 1 41 ILE MG 1 85 ALA MB . . 3.210 2.338 1.904 2.811 . 0 0 "[ . 1 . 2]" 1
1073 1 68 ALA HA 1 69 THR H . . 2.850 2.348 2.237 2.425 . 0 0 "[ . 1 . 2]" 1
1074 1 63 ALA MB 1 68 ALA HA . . 4.260 3.749 3.199 4.237 . 0 0 "[ . 1 . 2]" 1
1075 1 68 ALA HA 1 69 THR HB . . 4.600 4.534 4.474 4.576 . 0 0 "[ . 1 . 2]" 1
1076 1 42 LEU H 1 42 LEU MD2 . . 4.000 3.433 3.207 3.761 . 0 0 "[ . 1 . 2]" 1
1077 1 42 LEU MD2 1 43 GLU H . . 4.660 4.619 4.550 4.669 0.009 2 0 "[ . 1 . 2]" 1
1078 1 42 LEU HA 1 42 LEU MD2 . . 2.690 2.324 1.993 2.599 . 0 0 "[ . 1 . 2]" 1
1079 1 42 LEU HB2 1 42 LEU MD2 . . 3.360 3.156 3.121 3.188 . 0 0 "[ . 1 . 2]" 1
1080 1 42 LEU HB3 1 42 LEU MD2 . . 3.360 2.201 2.025 2.372 . 0 0 "[ . 1 . 2]" 1
1081 1 42 LEU MD2 1 87 THR HA . . 4.560 4.363 4.088 4.560 0.000 1 0 "[ . 1 . 2]" 1
1082 1 46 ILE H 1 60 THR MG . . 4.650 3.309 2.340 4.642 . 0 0 "[ . 1 . 2]" 1
1083 1 60 THR MG 1 61 LEU H . . 4.000 2.441 1.879 3.846 . 0 0 "[ . 1 . 2]" 1
1084 1 60 THR H 1 60 THR MG . . 4.520 3.709 2.952 3.943 . 0 0 "[ . 1 . 2]" 1
1085 1 58 TYR QD 1 60 THR MG . . 4.470 3.859 2.296 4.477 0.007 19 0 "[ . 1 . 2]" 1
1086 1 58 TYR QE 1 60 THR MG . . 3.850 3.117 1.855 3.845 . 0 0 "[ . 1 . 2]" 1
1087 1 60 THR HA 1 60 THR MG . . 3.620 2.252 2.074 2.364 . 0 0 "[ . 1 . 2]" 1
1088 1 46 ILE HA 1 60 THR MG . . 5.460 4.633 3.938 5.470 0.010 16 0 "[ . 1 . 2]" 1
1089 1 60 THR MG 1 61 LEU HA . . 5.500 4.195 3.545 5.494 . 0 0 "[ . 1 . 2]" 1
1090 1 60 THR MG 1 62 LYS QE . . 4.500 3.688 2.657 4.522 0.022 16 0 "[ . 1 . 2]" 1
1091 1 100 VAL H 1 100 VAL MG1 . . 4.000 3.897 3.847 3.944 . 0 0 "[ . 1 . 2]" 1
1092 1 100 VAL MG1 1 102 THR H . . 4.700 4.296 3.897 4.639 . 0 0 "[ . 1 . 2]" 1
1093 1 100 VAL MG1 1 101 GLU H . . 3.170 2.288 1.999 2.561 . 0 0 "[ . 1 . 2]" 1
1094 1 19 GLN HE21 1 100 VAL MG1 . . 4.670 2.543 1.721 4.216 . 0 0 "[ . 1 . 2]" 1
1095 1 81 PHE QE 1 100 VAL MG1 . . 3.740 2.817 2.489 3.243 . 0 0 "[ . 1 . 2]" 1
1096 1 100 VAL MG1 1 101 GLU HA . . 4.560 3.658 3.464 3.803 . 0 0 "[ . 1 . 2]" 1
1097 1 19 GLN HB2 1 100 VAL MG1 . . 4.010 3.740 3.317 4.015 0.005 14 0 "[ . 1 . 2]" 1
1098 1 9 ALA HA 1 10 ALA H . . 2.800 2.293 2.149 2.472 . 0 0 "[ . 1 . 2]" 1
1099 1 14 VAL MG1 1 15 VAL H . . 4.470 2.941 2.512 4.155 . 0 0 "[ . 1 . 2]" 1
1100 1 15 VAL H 1 15 VAL MG1 . . 4.360 2.859 2.445 3.096 . 0 0 "[ . 1 . 2]" 1
1101 1 100 VAL H 1 100 VAL MG2 . . 3.560 3.056 2.927 3.191 . 0 0 "[ . 1 . 2]" 1
1102 1 99 GLU H 1 100 VAL MG2 . . 4.470 3.581 3.249 3.964 . 0 0 "[ . 1 . 2]" 1
1103 1 100 VAL MG2 1 101 GLU H . . 4.230 3.915 3.776 4.013 . 0 0 "[ . 1 . 2]" 1
1104 1 81 PHE QD 1 100 VAL MG2 . . 3.370 2.639 2.270 3.365 . 0 0 "[ . 1 . 2]" 1
1105 1 100 VAL HA 1 100 VAL MG2 . . 3.090 2.367 2.257 2.436 . 0 0 "[ . 1 . 2]" 1
1106 1 19 GLN HB2 1 100 VAL MG2 . . 3.540 2.947 2.502 3.332 . 0 0 "[ . 1 . 2]" 1
1107 1 27 VAL MG1 1 28 SER H . . 3.980 2.444 1.982 3.790 . 0 0 "[ . 1 . 2]" 1
1108 1 27 VAL MG1 1 81 PHE HZ . . 4.020 2.946 1.852 3.474 . 0 0 "[ . 1 . 2]" 1
1109 1 27 VAL HA 1 27 VAL MG1 . . 3.330 2.478 2.342 3.185 . 0 0 "[ . 1 . 2]" 1
1110 1 27 VAL MG1 1 100 VAL HB . . 4.240 3.515 3.007 4.126 . 0 0 "[ . 1 . 2]" 1
1111 1 27 VAL MG1 1 102 THR MG . . 4.270 4.000 3.110 4.296 0.026 19 0 "[ . 1 . 2]" 1
1112 1 44 TYR H 1 64 VAL MG1 . . 4.890 4.772 4.498 4.905 0.015 8 0 "[ . 1 . 2]" 1
1113 1 64 VAL H 1 64 VAL MG1 . . 3.410 2.514 2.385 2.612 . 0 0 "[ . 1 . 2]" 1
1114 1 63 ALA HA 1 64 VAL MG1 . . 3.840 3.786 3.689 3.840 . 0 0 "[ . 1 . 2]" 1
1115 1 14 VAL MG2 1 31 TRP HD1 . . 4.070 2.988 2.423 3.664 . 0 0 "[ . 1 . 2]" 1
1116 1 14 VAL MG2 1 83 VAL QG . . 3.450 2.903 2.264 3.337 . 0 0 "[ . 1 . 2]" 1
1117 1 14 VAL MG1 1 31 TRP HD1 . . 4.070 2.792 2.376 3.140 . 0 0 "[ . 1 . 2]" 1
1118 1 14 VAL MG1 1 83 VAL QG . . 3.450 3.048 2.520 3.409 . 0 0 "[ . 1 . 2]" 1
1119 1 14 VAL HA 1 14 VAL MG1 . . 3.550 2.388 2.214 2.503 . 0 0 "[ . 1 . 2]" 1
1120 1 44 TYR HH 1 66 THR MG . . 4.120 3.646 3.197 4.138 0.018 16 0 "[ . 1 . 2]" 1
1121 1 33 GLU H 1 66 THR MG . . 3.790 3.323 2.935 3.695 . 0 0 "[ . 1 . 2]" 1
1122 1 66 THR H 1 66 THR MG . . 3.240 2.517 2.324 2.709 . 0 0 "[ . 1 . 2]" 1
1123 1 31 TRP HD1 1 66 THR MG . . 3.930 3.600 3.286 3.921 . 0 0 "[ . 1 . 2]" 1
1124 1 31 TRP HE1 1 66 THR MG . . 3.450 3.095 2.594 3.439 . 0 0 "[ . 1 . 2]" 1
1125 1 32 GLN HA 1 66 THR MG . . 3.920 3.063 2.668 3.826 . 0 0 "[ . 1 . 2]" 1
1126 1 33 GLU HA 1 66 THR MG . . 4.310 3.722 3.392 4.033 . 0 0 "[ . 1 . 2]" 1
1127 1 66 THR HA 1 66 THR MG . . 2.920 2.250 2.112 2.392 . 0 0 "[ . 1 . 2]" 1
1128 1 27 VAL H 1 27 VAL MG1 . . 4.270 3.759 2.328 3.966 . 0 0 "[ . 1 . 2]" 1
1129 1 27 VAL MG1 1 81 PHE QE . . 3.960 2.734 2.230 3.184 . 0 0 "[ . 1 . 2]" 1
1130 1 27 VAL MG1 1 70 VAL HB . . 4.680 3.874 1.745 4.235 . 0 0 "[ . 1 . 2]" 1
1131 1 14 VAL MG2 1 15 VAL H . . 4.470 4.029 3.919 4.206 . 0 0 "[ . 1 . 2]" 1
1132 1 14 VAL HA 1 14 VAL MG2 . . 3.550 2.405 2.193 3.188 . 0 0 "[ . 1 . 2]" 1
1133 1 25 THR MG 1 26 SER H . . 4.580 4.233 4.008 4.298 . 0 0 "[ . 1 . 2]" 1
1134 1 25 THR MG 1 75 PRO HA . . 4.550 3.892 2.981 4.338 . 0 0 "[ . 1 . 2]" 1
1135 1 24 GLN HA 1 25 THR MG . . 4.430 4.168 3.515 4.435 0.005 15 0 "[ . 1 . 2]" 1
1136 1 25 THR MG 1 75 PRO HD3 . . 3.500 2.265 2.002 2.555 . 0 0 "[ . 1 . 2]" 1
1137 1 24 GLN HG3 1 25 THR MG . . 4.760 4.598 4.313 4.835 0.075 11 0 "[ . 1 . 2]" 1
1138 1 24 GLN QB 1 25 THR MG . . 3.220 2.619 2.129 2.958 . 0 0 "[ . 1 . 2]" 1
1139 1 69 THR MG 1 70 VAL H . . 3.360 2.993 2.619 3.197 . 0 0 "[ . 1 . 2]" 1
1140 1 69 THR H 1 69 THR MG . . 4.010 3.879 3.808 3.932 . 0 0 "[ . 1 . 2]" 1
1141 1 27 VAL H 1 69 THR MG . . 3.860 2.775 2.424 3.468 . 0 0 "[ . 1 . 2]" 1
1142 1 26 SER HA 1 69 THR MG . . 4.540 4.012 3.635 4.601 0.061 17 0 "[ . 1 . 2]" 1
1143 1 28 SER HA 1 69 THR MG . . 3.860 2.916 2.471 3.502 . 0 0 "[ . 1 . 2]" 1
1144 1 69 THR MG 1 71 SER HA . . 4.380 3.986 3.784 4.160 . 0 0 "[ . 1 . 2]" 1
1145 1 69 THR HA 1 69 THR MG . . 3.110 2.339 2.291 2.425 . 0 0 "[ . 1 . 2]" 1
1146 1 28 SER HB2 1 69 THR MG . . 4.520 2.963 2.397 3.279 . 0 0 "[ . 1 . 2]" 1
1147 1 26 SER HB2 1 69 THR MG . . 3.970 2.789 2.436 4.003 0.033 13 0 "[ . 1 . 2]" 1
1148 1 26 SER HB3 1 69 THR MG . . 3.970 3.775 2.637 3.992 0.022 19 0 "[ . 1 . 2]" 1
1149 1 83 VAL H 1 83 VAL QG . . 3.990 2.382 2.203 2.598 . 0 0 "[ . 1 . 2]" 1
1150 1 31 TRP HE3 1 83 VAL QG . . 4.360 2.756 2.333 3.176 . 0 0 "[ . 1 . 2]" 1
1151 1 31 TRP HZ3 1 83 VAL QG . . 4.440 3.283 2.919 3.614 . 0 0 "[ . 1 . 2]" 1
1152 1 46 ILE HA 1 83 VAL QG . . 3.810 3.205 2.917 3.550 . 0 0 "[ . 1 . 2]" 1
1153 1 82 GLN HA 1 83 VAL QG . . 4.370 3.679 3.576 3.824 . 0 0 "[ . 1 . 2]" 1
1154 1 44 TYR HB3 1 83 VAL QG . . 3.720 2.477 2.307 2.684 . 0 0 "[ . 1 . 2]" 1
1155 1 29 LEU HB2 1 83 VAL QG . . 4.450 3.786 3.265 4.227 . 0 0 "[ . 1 . 2]" 1
1156 1 29 LEU HB3 1 83 VAL QG . . 4.720 3.453 3.228 3.757 . 0 0 "[ . 1 . 2]" 1
1157 1 46 ILE HG13 1 83 VAL QG . . 3.610 2.873 2.022 3.251 . 0 0 "[ . 1 . 2]" 1
1158 1 46 ILE HG12 1 83 VAL QG . . 3.420 2.091 1.885 2.925 . 0 0 "[ . 1 . 2]" 1
1159 1 74 LYS HA 1 75 PRO HD3 . . 2.820 2.257 2.253 2.268 . 0 0 "[ . 1 . 2]" 1
1160 1 74 LYS HG2 1 75 PRO HD3 . . 4.460 4.253 3.953 4.437 . 0 0 "[ . 1 . 2]" 1
1161 1 74 LYS HA 1 75 PRO HD2 . . 2.920 2.191 2.077 2.255 . 0 0 "[ . 1 . 2]" 1
1162 1 74 LYS QB 1 75 PRO HD2 . . 3.240 2.604 2.345 3.028 . 0 0 "[ . 1 . 2]" 1
1163 1 74 LYS HG3 1 75 PRO HD2 . . 4.330 4.045 3.735 4.252 . 0 0 "[ . 1 . 2]" 1
1164 1 74 LYS HG2 1 75 PRO HD2 . . 4.280 3.068 2.750 3.314 . 0 0 "[ . 1 . 2]" 1
1165 1 25 THR MG 1 75 PRO HD2 . . 3.980 3.760 3.512 4.022 0.042 15 0 "[ . 1 . 2]" 1
1166 1 87 THR MG 1 88 SER H . . 4.690 3.706 3.525 3.868 . 0 0 "[ . 1 . 2]" 1
1167 1 42 LEU H 1 87 THR MG . . 3.750 3.393 2.875 3.627 . 0 0 "[ . 1 . 2]" 1
1168 1 41 ILE H 1 87 THR MG . . 4.070 3.790 3.434 4.083 0.013 11 0 "[ . 1 . 2]" 1
1169 1 87 THR H 1 87 THR MG . . 3.750 2.927 2.682 3.231 . 0 0 "[ . 1 . 2]" 1
1170 1 87 THR MG 1 89 ALA H . . 4.510 4.422 4.306 4.510 0.000 8 0 "[ . 1 . 2]" 1
1171 1 39 GLY H 1 87 THR MG . . 5.130 4.596 4.169 4.890 . 0 0 "[ . 1 . 2]" 1
1172 1 87 THR HA 1 87 THR MG . . 3.260 2.271 2.100 2.432 . 0 0 "[ . 1 . 2]" 1
1173 1 39 GLY HA3 1 87 THR MG . . 3.820 3.603 3.246 3.822 0.002 16 0 "[ . 1 . 2]" 1
1174 1 10 ALA HA 1 87 THR MG . . 5.250 4.715 4.125 5.050 . 0 0 "[ . 1 . 2]" 1
1175 1 41 ILE HA 1 87 THR MG . . 2.910 2.027 1.945 2.189 . 0 0 "[ . 1 . 2]" 1
1176 1 11 PRO HD3 1 87 THR MG . . 4.530 2.866 2.306 3.299 . 0 0 "[ . 1 . 2]" 1
1177 1 11 PRO HG3 1 87 THR MG . . 3.250 2.203 1.943 2.715 . 0 0 "[ . 1 . 2]" 1
1178 1 41 ILE MG 1 87 THR MG . . 3.770 3.076 2.746 3.506 . 0 0 "[ . 1 . 2]" 1
1179 1 15 VAL H 1 16 VAL MG1 . . 5.500 3.909 2.833 5.504 0.004 20 0 "[ . 1 . 2]" 1
1180 1 80 VAL MG2 1 81 PHE H . . 4.510 4.196 4.095 4.252 . 0 0 "[ . 1 . 2]" 1
1181 1 80 VAL H 1 80 VAL MG2 . . 3.300 2.448 2.209 2.694 . 0 0 "[ . 1 . 2]" 1
1182 1 51 LYS H 1 80 VAL MG2 . . 3.830 3.361 2.954 3.546 . 0 0 "[ . 1 . 2]" 1
1183 1 49 TYR QD 1 80 VAL MG2 . . 4.040 3.759 3.324 4.048 0.008 8 0 "[ . 1 . 2]" 1
1184 1 49 TYR QE 1 80 VAL MG2 . . 3.360 2.592 1.975 3.154 . 0 0 "[ . 1 . 2]" 1
1185 1 80 VAL MG2 1 99 GLU HA . . 3.820 3.378 2.936 3.610 . 0 0 "[ . 1 . 2]" 1
1186 1 80 VAL HA 1 80 VAL MG2 . . 3.140 2.439 2.330 2.509 . 0 0 "[ . 1 . 2]" 1
1187 1 51 LYS HA 1 80 VAL MG2 . . 3.200 2.043 1.820 2.414 . 0 0 "[ . 1 . 2]" 1
1188 1 51 LYS QE 1 80 VAL MG2 . . 4.710 3.476 2.986 4.727 0.017 18 0 "[ . 1 . 2]" 1
1189 1 80 VAL MG2 1 99 GLU HG3 . . 3.770 3.580 2.121 3.810 0.040 20 0 "[ . 1 . 2]" 1
1190 1 80 VAL MG2 1 99 GLU HG2 . . 3.300 2.835 2.557 3.070 . 0 0 "[ . 1 . 2]" 1
1191 1 51 LYS HB2 1 80 VAL MG2 . . 3.580 2.099 1.972 2.290 . 0 0 "[ . 1 . 2]" 1
1192 1 51 LYS HD3 1 80 VAL MG2 . . 3.630 2.299 1.861 3.629 . 0 0 "[ . 1 . 2]" 1
1193 1 51 LYS HB3 1 80 VAL MG2 . . 3.660 3.378 1.885 3.666 0.006 20 0 "[ . 1 . 2]" 1
1194 1 70 VAL MG1 1 81 PHE QD . . 4.280 3.886 3.596 4.146 . 0 0 "[ . 1 . 2]" 1
1195 1 70 VAL MG1 1 81 PHE QE . . 3.310 2.195 1.814 2.700 . 0 0 "[ . 1 . 2]" 1
1196 1 48 TYR QD 1 70 VAL MG1 . . 3.850 2.785 2.561 3.190 . 0 0 "[ . 1 . 2]" 1
1197 1 48 TYR QE 1 70 VAL MG1 . . 3.440 2.758 2.398 3.129 . 0 0 "[ . 1 . 2]" 1
1198 1 70 VAL MG1 1 81 PHE HZ . . 3.960 3.397 2.350 3.914 . 0 0 "[ . 1 . 2]" 1
1199 1 70 VAL MG1 1 71 SER HA . . 4.700 3.702 3.498 3.959 . 0 0 "[ . 1 . 2]" 1
1200 1 70 VAL HA 1 70 VAL MG1 . . 3.090 2.415 2.312 2.485 . 0 0 "[ . 1 . 2]" 1
1201 1 61 LEU MD2 1 70 VAL MG1 . . 3.600 3.350 2.920 3.608 0.008 17 0 "[ . 1 . 2]" 1
1202 1 70 VAL MG1 1 73 LEU HG . . 3.760 2.650 2.361 2.859 . 0 0 "[ . 1 . 2]" 1
1203 1 70 VAL MG1 1 73 LEU MD1 . . 3.150 2.099 1.773 2.281 . 0 0 "[ . 1 . 2]" 1
1204 1 70 VAL MG1 1 73 LEU MD2 . . 2.900 2.055 1.843 2.319 . 0 0 "[ . 1 . 2]" 1
1205 1 34 PRO QD 1 44 TYR QE . . 4.010 2.818 2.578 2.990 . 0 0 "[ . 1 . 2]" 1
1206 1 33 GLU HB3 1 34 PRO QD . . 3.730 2.527 1.983 2.838 . 0 0 "[ . 1 . 2]" 1
1207 1 16 VAL MG1 1 17 ILE H . . 4.370 3.700 2.715 4.259 . 0 0 "[ . 1 . 2]" 1
1208 1 16 VAL H 1 16 VAL MG1 . . 4.500 2.706 1.732 3.887 . 0 0 "[ . 1 . 2]" 1
1209 1 16 VAL HA 1 16 VAL MG1 . . 3.200 2.838 2.228 3.198 . 0 0 "[ . 1 . 2]" 1
1210 1 16 VAL MG1 1 32 GLN HG2 . . 4.560 2.212 1.795 3.365 . 0 0 "[ . 1 . 2]" 1
1211 1 16 VAL MG1 1 32 GLN HG3 . . 4.560 2.517 1.847 4.025 . 0 0 "[ . 1 . 2]" 1
1212 1 16 VAL H 1 16 VAL MG2 . . 4.500 3.366 2.285 3.866 . 0 0 "[ . 1 . 2]" 1
1213 1 16 VAL MG2 1 32 GLN HB2 . . 4.840 4.275 2.161 4.794 . 0 0 "[ . 1 . 2]" 1
1214 1 16 VAL MG2 1 17 ILE H . . 4.370 3.404 2.713 4.237 . 0 0 "[ . 1 . 2]" 1
1215 1 16 VAL HA 1 16 VAL MG2 . . 3.200 2.440 2.367 2.499 . 0 0 "[ . 1 . 2]" 1
1216 1 16 VAL MG2 1 32 GLN HG3 . . 4.560 3.368 2.944 3.904 . 0 0 "[ . 1 . 2]" 1
1217 1 27 VAL H 1 27 VAL MG2 . . 4.270 3.210 2.942 3.948 . 0 0 "[ . 1 . 2]" 1
1218 1 27 VAL MG2 1 81 PHE QE . . 3.960 3.146 2.517 3.621 . 0 0 "[ . 1 . 2]" 1
1219 1 27 VAL MG2 1 81 PHE HZ . . 4.020 2.886 2.154 4.007 . 0 0 "[ . 1 . 2]" 1
1220 1 27 VAL HA 1 27 VAL MG2 . . 3.330 2.318 2.198 2.414 . 0 0 "[ . 1 . 2]" 1
1221 1 27 VAL MG2 1 100 VAL HB . . 4.240 3.996 3.538 4.246 0.006 6 0 "[ . 1 . 2]" 1
1222 1 27 VAL MG2 1 70 VAL HB . . 4.680 4.220 3.700 4.644 . 0 0 "[ . 1 . 2]" 1
1223 1 22 ALA MB 1 28 SER H . . 4.620 4.207 3.792 4.486 . 0 0 "[ . 1 . 2]" 1
1224 1 22 ALA MB 1 23 GLY H . . 3.640 3.365 2.924 3.695 0.055 15 0 "[ . 1 . 2]" 1
1225 1 19 GLN HE22 1 22 ALA MB . . 4.340 2.874 2.179 3.804 . 0 0 "[ . 1 . 2]" 1
1226 1 19 GLN HE21 1 22 ALA MB . . 4.340 3.130 1.941 4.192 . 0 0 "[ . 1 . 2]" 1
1227 1 21 ARG HA 1 22 ALA MB . . 4.440 3.892 3.759 4.064 . 0 0 "[ . 1 . 2]" 1
1228 1 19 GLN HG2 1 22 ALA MB . . 4.420 3.478 2.317 3.957 . 0 0 "[ . 1 . 2]" 1
1229 1 19 GLN HG3 1 22 ALA MB . . 4.420 3.175 1.977 3.974 . 0 0 "[ . 1 . 2]" 1
1230 1 22 ALA MB 1 100 VAL MG1 . . 3.160 2.722 2.331 3.167 0.007 18 0 "[ . 1 . 2]" 1
1231 1 22 ALA MB 1 27 VAL MG1 . . 3.750 2.899 2.294 3.565 . 0 0 "[ . 1 . 2]" 1
1232 1 22 ALA MB 1 27 VAL MG2 . . 3.750 2.731 2.131 3.124 . 0 0 "[ . 1 . 2]" 1
1233 1 10 ALA HA 1 11 PRO HD3 . . 3.760 2.297 2.254 2.371 . 0 0 "[ . 1 . 2]" 1
1234 1 104 LYS HA 1 105 PRO HD2 . . 2.850 2.367 2.243 2.440 . 0 0 "[ . 1 . 2]" 1
1235 1 104 LYS HB3 1 105 PRO HD2 . . 3.250 2.220 2.001 2.481 . 0 0 "[ . 1 . 2]" 1
1236 1 75 PRO HB2 1 105 PRO HD2 . . 4.480 3.748 3.640 3.907 . 0 0 "[ . 1 . 2]" 1
1237 1 104 LYS HB3 1 105 PRO HD3 . . 4.540 3.634 3.452 3.842 . 0 0 "[ . 1 . 2]" 1
1238 1 36 GLN H 1 37 PRO HD3 . . 4.980 3.888 2.188 4.165 . 0 0 "[ . 1 . 2]" 1
1239 1 76 GLY H 1 105 PRO HD3 . . 5.190 3.421 2.951 3.868 . 0 0 "[ . 1 . 2]" 1
1240 1 64 VAL H 1 65 THR MG . . 4.330 3.438 3.258 3.712 . 0 0 "[ . 1 . 2]" 1
1241 1 65 THR MG 1 66 THR H . . 3.650 3.493 3.297 3.654 0.004 16 0 "[ . 1 . 2]" 1
1242 1 77 THR MG 1 78 ARG H . . 3.180 2.828 2.521 3.114 . 0 0 "[ . 1 . 2]" 1
1243 1 77 THR H 1 77 THR MG . . 4.010 3.945 3.904 3.995 . 0 0 "[ . 1 . 2]" 1
1244 1 51 LYS H 1 77 THR MG . . 4.410 3.816 3.525 4.393 . 0 0 "[ . 1 . 2]" 1
1245 1 77 THR MG 1 79 TYR QE . . 3.330 3.080 2.744 3.322 . 0 0 "[ . 1 . 2]" 1
1246 1 77 THR MG 1 102 THR HG1 . . 5.090 4.806 4.392 5.008 . 0 0 "[ . 1 . 2]" 1
1247 1 77 THR HA 1 77 THR MG . . 3.050 2.360 2.289 2.447 . 0 0 "[ . 1 . 2]" 1
1248 1 74 LYS QE 1 77 THR MG . . 3.910 3.729 3.256 3.925 0.015 12 0 "[ . 1 . 2]" 1
1249 1 50 GLU HG3 1 77 THR MG . . 3.380 3.123 2.709 3.385 0.005 17 0 "[ . 1 . 2]" 1
1250 1 74 LYS QB 1 77 THR MG . . 3.440 3.116 2.826 3.326 . 0 0 "[ . 1 . 2]" 1
1251 1 104 LYS HB2 1 105 PRO HD3 . . 5.470 4.789 4.694 4.889 . 0 0 "[ . 1 . 2]" 1
1252 1 104 LYS QD 1 105 PRO HD3 . . 5.500 4.521 3.063 5.095 . 0 0 "[ . 1 . 2]" 1
1253 1 48 TYR QE 1 70 VAL MG2 . . 4.240 3.297 2.685 4.026 . 0 0 "[ . 1 . 2]" 1
1254 1 36 GLN HA 1 37 PRO HD2 . . 3.220 1.938 1.912 2.415 . 0 0 "[ . 1 . 2]" 1
1255 1 37 PRO HD2 1 38 ASN H . . 4.540 2.724 2.648 3.097 . 0 0 "[ . 1 . 2]" 1
1256 1 37 PRO HD3 1 38 ASN H . . 4.540 3.882 3.836 4.081 . 0 0 "[ . 1 . 2]" 1
1257 1 36 GLN HA 1 37 PRO HD3 . . 3.220 2.528 2.470 3.305 0.085 11 0 "[ . 1 . 2]" 1
1258 1 87 THR HG1 1 89 ALA MB . . 3.970 2.789 2.099 3.479 . 0 0 "[ . 1 . 2]" 1
1259 1 10 ALA HA 1 89 ALA MB . . 4.120 3.683 3.064 4.050 . 0 0 "[ . 1 . 2]" 1
1260 1 8 GLN HB2 1 89 ALA MB . . 4.080 2.278 1.806 4.082 0.002 9 0 "[ . 1 . 2]" 1
1261 1 70 VAL MG2 1 81 PHE QD . . 3.810 2.598 2.094 2.987 . 0 0 "[ . 1 . 2]" 1
1262 1 70 VAL MG2 1 81 PHE QE . . 3.320 1.993 1.849 2.182 . 0 0 "[ . 1 . 2]" 1
1263 1 48 TYR QD 1 70 VAL MG2 . . 4.300 2.821 2.284 3.452 . 0 0 "[ . 1 . 2]" 1
1264 1 70 VAL MG2 1 81 PHE HZ . . 4.420 3.887 3.204 4.257 . 0 0 "[ . 1 . 2]" 1
1265 1 69 THR HA 1 70 VAL MG2 . . 4.180 3.826 3.671 4.001 . 0 0 "[ . 1 . 2]" 1
1266 1 70 VAL HA 1 70 VAL MG2 . . 3.100 2.354 2.230 2.436 . 0 0 "[ . 1 . 2]" 1
1267 1 46 ILE HB 1 70 VAL MG2 . . 4.250 3.500 3.093 3.897 . 0 0 "[ . 1 . 2]" 1
1268 1 61 LEU QB 1 70 VAL MG2 . . 3.690 3.065 2.481 3.529 . 0 0 "[ . 1 . 2]" 1
1269 1 68 ALA MB 1 70 VAL MG2 . . 3.850 3.682 3.533 3.842 . 0 0 "[ . 1 . 2]" 1
1270 1 61 LEU MD2 1 70 VAL MG2 . . 3.070 2.136 1.849 2.471 . 0 0 "[ . 1 . 2]" 1
1271 1 44 TYR HD2 1 83 VAL QG . . 4.130 2.954 2.037 5.027 0.897 7 5 "[ -* + * .* 2]" 1
1272 1 31 TRP HD1 1 83 VAL QG . . 4.590 3.303 2.868 3.639 . 0 0 "[ . 1 . 2]" 1
1273 1 9 ALA MB 1 38 ASN HD22 . . 3.960 3.286 2.462 3.961 0.001 17 0 "[ . 1 . 2]" 1
1274 1 9 ALA MB 1 38 ASN HD21 . . 3.960 2.974 1.877 3.965 0.005 6 0 "[ . 1 . 2]" 1
1275 1 9 ALA MB 1 38 ASN HB2 . . 4.000 3.826 3.412 4.000 0.000 2 0 "[ . 1 . 2]" 1
1276 1 9 ALA MB 1 38 ASN HB3 . . 4.000 2.961 1.974 3.574 . 0 0 "[ . 1 . 2]" 1
1277 1 73 LEU MD2 1 81 PHE QE . . 4.370 3.564 2.937 3.846 . 0 0 "[ . 1 . 2]" 1
1278 1 73 LEU MD2 1 81 PHE HZ . . 4.110 3.707 3.060 4.094 . 0 0 "[ . 1 . 2]" 1
1279 1 44 TYR HD1 1 83 VAL QG . . 5.500 4.338 2.162 5.100 . 0 0 "[ . 1 . 2]" 1
1280 1 83 VAL QG 1 94 PHE QD . . 5.500 4.487 4.221 4.589 . 0 0 "[ . 1 . 2]" 1
1281 1 31 TRP HZ2 1 83 VAL QG . . 4.460 3.431 3.204 3.681 . 0 0 "[ . 1 . 2]" 1
1282 1 31 TRP HH2 1 83 VAL QG . . 5.210 3.697 3.356 3.961 . 0 0 "[ . 1 . 2]" 1
1283 1 44 TYR HA 1 83 VAL QG . . 4.600 4.095 3.801 4.345 . 0 0 "[ . 1 . 2]" 1
1284 1 83 VAL QG 1 84 ARG HA . . 4.880 3.335 3.125 3.517 . 0 0 "[ . 1 . 2]" 1
1285 1 44 TYR HB2 1 83 VAL QG . . 4.250 3.670 3.372 3.847 . 0 0 "[ . 1 . 2]" 1
1286 1 14 VAL HB 1 83 VAL QG . . 4.240 3.552 3.089 4.139 . 0 0 "[ . 1 . 2]" 1
1287 1 73 LEU H 1 73 LEU MD2 . . 3.890 3.760 3.523 3.906 0.016 17 0 "[ . 1 . 2]" 1
1288 1 73 LEU MD2 1 79 TYR QE . . 3.570 3.106 2.439 3.555 . 0 0 "[ . 1 . 2]" 1
1289 1 73 LEU MD2 1 79 TYR QD . . 4.560 3.417 3.006 3.757 . 0 0 "[ . 1 . 2]" 1
1290 1 48 TYR QD 1 73 LEU MD2 . . 3.620 2.245 1.902 2.751 . 0 0 "[ . 1 . 2]" 1
1291 1 48 TYR QE 1 73 LEU MD2 . . 3.140 2.367 1.981 2.988 . 0 0 "[ . 1 . 2]" 1
1292 1 73 LEU HA 1 73 LEU MD2 . . 2.850 2.348 2.098 2.687 . 0 0 "[ . 1 . 2]" 1
1293 1 73 LEU MD2 1 74 LYS QB . . 5.290 5.068 4.910 5.332 0.042 17 0 "[ . 1 . 2]" 1
1294 1 70 VAL HB 1 73 LEU MD2 . . 4.450 3.951 3.790 4.241 . 0 0 "[ . 1 . 2]" 1
1295 1 73 LEU HB3 1 73 LEU MD2 . . 3.310 2.196 2.019 2.298 . 0 0 "[ . 1 . 2]" 1
1296 1 73 LEU HB2 1 73 LEU MD2 . . 3.580 3.165 3.117 3.186 . 0 0 "[ . 1 . 2]" 1
1297 1 10 ALA HA 1 11 PRO HD2 . . 3.760 2.380 2.210 2.552 . 0 0 "[ . 1 . 2]" 1
1298 1 11 PRO HD2 1 87 THR MG . . 4.530 4.088 3.543 4.541 0.011 11 0 "[ . 1 . 2]" 1
1299 1 97 ALA H 1 97 ALA MB . . 2.850 2.066 2.023 2.249 . 0 0 "[ . 1 . 2]" 1
1300 1 97 ALA MB 1 98 MET H . . 3.590 3.445 3.313 3.481 . 0 0 "[ . 1 . 2]" 1
1301 1 96 GLN HA 1 97 ALA MB . . 4.000 3.978 3.932 4.022 0.022 20 0 "[ . 1 . 2]" 1
1302 1 82 GLN HG3 1 97 ALA MB . . 4.340 4.117 3.509 4.403 0.063 16 0 "[ . 1 . 2]" 1
1303 1 80 VAL MG1 1 97 ALA MB . . 2.620 2.505 2.140 2.643 0.023 19 0 "[ . 1 . 2]" 1
1304 1 64 VAL H 1 64 VAL MG2 . . 3.020 1.897 1.869 1.965 . 0 0 "[ . 1 . 2]" 1
1305 1 64 VAL MG2 1 65 THR H . . 3.600 2.169 1.967 2.403 . 0 0 "[ . 1 . 2]" 1
1306 1 63 ALA HA 1 64 VAL MG2 . . 3.750 3.699 3.640 3.733 . 0 0 "[ . 1 . 2]" 1
1307 1 63 ALA MB 1 64 VAL MG2 . . 4.060 4.044 3.974 4.087 0.027 14 0 "[ . 1 . 2]" 1
1308 1 15 VAL H 1 15 VAL MG2 . . 4.360 2.101 1.868 3.645 . 0 0 "[ . 1 . 2]" 1
1309 1 15 VAL HA 1 15 VAL MG2 . . 3.430 3.133 2.075 3.203 . 0 0 "[ . 1 . 2]" 1
1310 1 75 PRO HA 1 102 THR HG1 . . 3.280 2.883 2.083 3.303 0.023 15 0 "[ . 1 . 2]" 1
1311 1 75 PRO HA 1 102 THR HB . . 3.430 3.050 2.557 3.349 . 0 0 "[ . 1 . 2]" 1
1312 1 24 GLN HA 1 75 PRO HA . . 4.220 3.925 3.205 4.229 0.009 13 0 "[ . 1 . 2]" 1
1313 1 75 PRO HA 1 102 THR MG . . 4.020 3.844 3.620 4.060 0.040 12 0 "[ . 1 . 2]" 1
1314 1 60 THR HA 1 61 LEU H . . 3.390 2.236 2.152 2.351 . 0 0 "[ . 1 . 2]" 1
1315 1 48 TYR H 1 60 THR HA . . 4.780 3.574 3.065 4.381 . 0 0 "[ . 1 . 2]" 1
1316 1 83 VAL HA 1 94 PHE QE . . 4.410 3.811 3.487 4.286 . 0 0 "[ . 1 . 2]" 1
1317 1 83 VAL HA 1 94 PHE QD . . 4.620 3.766 3.419 3.913 . 0 0 "[ . 1 . 2]" 1
1318 1 46 ILE HA 1 83 VAL HA . . 3.500 2.505 2.180 2.814 . 0 0 "[ . 1 . 2]" 1
1319 1 83 VAL HA 1 84 ARG H . . 3.110 2.231 2.181 2.310 . 0 0 "[ . 1 . 2]" 1
1320 1 17 ILE MD 1 83 VAL HA . . 4.930 4.136 3.839 4.376 . 0 0 "[ . 1 . 2]" 1
1321 1 42 LEU H 1 87 THR HA . . 3.920 2.720 2.297 3.030 . 0 0 "[ . 1 . 2]" 1
1322 1 42 LEU HG 1 87 THR HA . . 3.650 2.913 2.494 3.150 . 0 0 "[ . 1 . 2]" 1
1323 1 27 VAL HB 1 28 SER HA . . 5.490 5.015 4.772 5.741 0.251 17 0 "[ . 1 . 2]" 1
1324 1 28 SER HA 1 68 ALA MB . . 5.500 4.996 4.610 5.286 . 0 0 "[ . 1 . 2]" 1
1325 1 28 SER HA 1 29 LEU H . . 3.030 2.237 2.157 2.376 . 0 0 "[ . 1 . 2]" 1
1326 1 28 SER HA 1 70 VAL H . . 3.900 3.290 2.834 3.620 . 0 0 "[ . 1 . 2]" 1
1327 1 28 SER HA 1 68 ALA H . . 5.240 4.920 4.540 5.252 0.012 16 0 "[ . 1 . 2]" 1
1328 1 28 SER HA 1 29 LEU HG . . 4.640 3.762 3.445 4.236 . 0 0 "[ . 1 . 2]" 1
1329 1 26 SER HA 1 71 SER HA . . 3.290 2.365 1.962 2.665 . 0 0 "[ . 1 . 2]" 1
1330 1 71 SER HA 1 72 GLY H . . 3.450 2.341 2.183 2.391 . 0 0 "[ . 1 . 2]" 1
1331 1 71 SER HA 1 73 LEU H . . 4.210 3.777 3.627 4.122 . 0 0 "[ . 1 . 2]" 1
1332 1 26 SER HB2 1 71 SER HA . . 3.900 3.430 2.642 3.923 0.023 19 0 "[ . 1 . 2]" 1
1333 1 71 SER HA 1 73 LEU HG . . 4.260 3.509 3.359 3.760 . 0 0 "[ . 1 . 2]" 1
1334 1 44 TYR HA 1 44 TYR HD2 . . 4.380 3.377 3.037 3.938 . 0 0 "[ . 1 . 2]" 1
1335 1 44 TYR HA 1 85 ALA MB . . 4.290 4.164 3.905 4.321 0.031 12 0 "[ . 1 . 2]" 1
1336 1 44 TYR HA 1 45 GLU H . . 3.080 2.180 2.139 2.331 . 0 0 "[ . 1 . 2]" 1
1337 1 44 TYR HA 1 86 ARG H . . 4.220 3.425 2.872 3.857 . 0 0 "[ . 1 . 2]" 1
1338 1 44 TYR HA 1 44 TYR HD1 . . 4.610 3.547 2.931 3.929 . 0 0 "[ . 1 . 2]" 1
1339 1 81 PHE HA 1 82 GLN H . . 2.860 2.287 2.238 2.336 . 0 0 "[ . 1 . 2]" 1
1340 1 81 PHE HA 1 81 PHE QE . . 4.760 4.579 4.499 4.748 . 0 0 "[ . 1 . 2]" 1
1341 1 81 PHE HA 1 82 GLN HA . . 4.630 4.481 4.451 4.508 . 0 0 "[ . 1 . 2]" 1
1342 1 48 TYR HB2 1 81 PHE HA . . 4.230 3.980 3.608 4.243 0.013 18 0 "[ . 1 . 2]" 1
1343 1 80 VAL MG1 1 81 PHE HA . . 4.540 3.988 3.741 4.177 . 0 0 "[ . 1 . 2]" 1
1344 1 81 PHE HA 1 81 PHE QD . . 3.830 2.811 2.699 3.102 . 0 0 "[ . 1 . 2]" 1
1345 1 26 SER HA 1 27 VAL H . . 3.060 2.309 2.176 2.522 . 0 0 "[ . 1 . 2]" 1
1346 1 26 SER HA 1 27 VAL HB . . 4.810 4.447 4.358 4.507 . 0 0 "[ . 1 . 2]" 1
1347 1 26 SER HA 1 73 LEU HG . . 4.000 3.684 2.947 4.006 0.006 4 0 "[ . 1 . 2]" 1
1348 1 26 SER HA 1 73 LEU HB2 . . 4.850 4.096 3.527 4.678 . 0 0 "[ . 1 . 2]" 1
1349 1 26 SER HA 1 73 LEU MD1 . . 3.610 2.748 1.904 3.625 0.015 19 0 "[ . 1 . 2]" 1
1350 1 18 ARG H 1 31 TRP HA . . 4.190 3.796 3.296 4.195 0.005 15 0 "[ . 1 . 2]" 1
1351 1 31 TRP HA 1 32 GLN H . . 3.340 2.247 2.156 2.514 . 0 0 "[ . 1 . 2]" 1
1352 1 31 TRP HA 1 31 TRP HE3 . . 4.810 4.333 4.217 4.490 . 0 0 "[ . 1 . 2]" 1
1353 1 17 ILE HA 1 31 TRP HA . . 3.460 2.706 2.394 3.013 . 0 0 "[ . 1 . 2]" 1
1354 1 17 ILE HG12 1 31 TRP HA . . 4.680 3.960 3.287 4.346 . 0 0 "[ . 1 . 2]" 1
1355 1 17 ILE MG 1 31 TRP HA . . 5.380 4.467 4.168 4.876 . 0 0 "[ . 1 . 2]" 1
1356 1 86 ARG HA 1 87 THR H . . 3.210 2.164 2.140 2.250 . 0 0 "[ . 1 . 2]" 1
1357 1 86 ARG HA 1 91 CYS HA . . 3.690 2.538 2.018 3.074 . 0 0 "[ . 1 . 2]" 1
1358 1 48 TYR HA 1 82 GLN H . . 4.270 4.123 3.835 4.315 0.045 16 0 "[ . 1 . 2]" 1
1359 1 48 TYR HA 1 81 PHE QD . . 4.530 3.926 3.444 4.187 . 0 0 "[ . 1 . 2]" 1
1360 1 48 TYR HA 1 49 TYR QD . . 4.410 4.114 3.793 4.367 . 0 0 "[ . 1 . 2]" 1
1361 1 48 TYR HA 1 81 PHE HA . . 3.500 2.623 2.421 2.737 . 0 0 "[ . 1 . 2]" 1
1362 1 48 TYR HA 1 80 VAL H . . 4.730 4.161 3.892 4.370 . 0 0 "[ . 1 . 2]" 1
1363 1 48 TYR HA 1 48 TYR QD . . 4.220 3.706 3.619 3.742 . 0 0 "[ . 1 . 2]" 1
1364 1 48 TYR HA 1 49 TYR QE . . 5.500 5.363 5.175 5.502 0.002 5 0 "[ . 1 . 2]" 1
1365 1 47 LYS HG2 1 48 TYR HA . . 4.610 3.688 3.449 4.120 . 0 0 "[ . 1 . 2]" 1
1366 1 48 TYR HA 1 80 VAL MG1 . . 5.130 4.641 4.414 4.832 . 0 0 "[ . 1 . 2]" 1
1367 1 80 VAL HA 1 99 GLU HA . . 3.170 2.905 2.401 3.152 . 0 0 "[ . 1 . 2]" 1
1368 1 99 GLU HA 1 99 GLU HG2 . . 3.550 2.548 2.207 3.559 0.009 5 0 "[ . 1 . 2]" 1
1369 1 80 VAL MG1 1 99 GLU HA . . 4.030 3.944 3.571 4.053 0.023 19 0 "[ . 1 . 2]" 1
1370 1 46 ILE H 1 62 LYS HA . . 4.170 3.761 3.315 4.164 . 0 0 "[ . 1 . 2]" 1
1371 1 45 GLU HA 1 62 LYS HA . . 3.420 2.805 2.417 3.046 . 0 0 "[ . 1 . 2]" 1
1372 1 62 LYS HA 1 62 LYS HD2 . . 4.290 3.209 2.772 3.841 . 0 0 "[ . 1 . 2]" 1
1373 1 62 LYS HA 1 62 LYS HG2 . . 4.060 3.191 2.441 3.688 . 0 0 "[ . 1 . 2]" 1
1374 1 62 LYS HA 1 62 LYS HG3 . . 4.060 2.986 2.261 3.811 . 0 0 "[ . 1 . 2]" 1
1375 1 46 ILE MD 1 62 LYS HA . . 4.560 4.321 3.860 4.561 0.001 16 0 "[ . 1 . 2]" 1
1376 1 45 GLU HA 1 46 ILE H . . 2.820 2.176 2.139 2.333 . 0 0 "[ . 1 . 2]" 1
1377 1 45 GLU HA 1 63 ALA H . . 4.360 3.684 3.115 4.332 . 0 0 "[ . 1 . 2]" 1
1378 1 45 GLU HA 1 45 GLU HG2 . . 3.870 3.098 2.484 3.635 . 0 0 "[ . 1 . 2]" 1
1379 1 45 GLU HA 1 45 GLU HG3 . . 3.870 2.503 2.141 3.655 . 0 0 "[ . 1 . 2]" 1
1380 1 45 GLU HA 1 46 ILE HB . . 4.820 4.635 4.527 4.726 . 0 0 "[ . 1 . 2]" 1
1381 1 45 GLU HA 1 46 ILE MD . . 4.560 4.269 3.071 4.567 0.007 5 0 "[ . 1 . 2]" 1
1382 1 47 LYS HA 1 58 TYR QD . . 4.630 3.688 3.337 4.233 . 0 0 "[ . 1 . 2]" 1
1383 1 47 LYS HA 1 61 LEU H . . 4.400 3.789 3.454 4.061 . 0 0 "[ . 1 . 2]" 1
1384 1 47 LYS HA 1 48 TYR QD . . 4.320 3.512 2.991 4.113 . 0 0 "[ . 1 . 2]" 1
1385 1 47 LYS HA 1 60 THR HA . . 3.540 2.552 2.110 2.904 . 0 0 "[ . 1 . 2]" 1
1386 1 47 LYS HA 1 60 THR MG . . 3.710 3.249 2.430 3.638 . 0 0 "[ . 1 . 2]" 1
1387 1 47 LYS HA 1 47 LYS HG3 . . 3.620 2.718 2.467 2.922 . 0 0 "[ . 1 . 2]" 1
1388 1 47 LYS HA 1 47 LYS HG2 . . 3.950 3.253 2.987 3.497 . 0 0 "[ . 1 . 2]" 1
1389 1 79 TYR H 1 101 GLU HA . . 3.720 3.302 2.977 3.531 . 0 0 "[ . 1 . 2]" 1
1390 1 77 THR H 1 101 GLU HA . . 4.810 4.445 4.044 4.672 . 0 0 "[ . 1 . 2]" 1
1391 1 101 GLU HA 1 101 GLU HG3 . . 3.530 2.719 2.502 2.800 . 0 0 "[ . 1 . 2]" 1
1392 1 78 ARG HG2 1 101 GLU HA . . 4.770 3.047 2.597 3.541 . 0 0 "[ . 1 . 2]" 1
1393 1 29 LEU HA 1 30 LEU H . . 2.940 2.304 2.171 2.528 . 0 0 "[ . 1 . 2]" 1
1394 1 28 SER HG 1 29 LEU HA . . 4.000 3.805 3.449 4.018 0.018 13 0 "[ . 1 . 2]" 1
1395 1 29 LEU HA 1 29 LEU HG . . 4.050 3.077 2.842 3.260 . 0 0 "[ . 1 . 2]" 1
1396 1 63 ALA HA 1 64 VAL H . . 2.860 2.161 2.153 2.179 . 0 0 "[ . 1 . 2]" 1
1397 1 46 ILE HG12 1 68 ALA MB . . 4.240 4.011 3.332 4.276 0.036 12 0 "[ . 1 . 2]" 1
1398 1 61 LEU MD2 1 68 ALA MB . . 3.160 2.353 2.012 2.705 . 0 0 "[ . 1 . 2]" 1
1399 1 63 ALA MB 1 68 ALA MB . . 2.770 1.974 1.798 2.242 . 0 0 "[ . 1 . 2]" 1
1400 1 29 LEU MD1 1 46 ILE MD . . 3.450 3.170 2.823 3.460 0.010 15 0 "[ . 1 . 2]" 1
1401 1 46 ILE MD 1 68 ALA MB . . 2.740 2.055 1.808 2.463 . 0 0 "[ . 1 . 2]" 1
1402 1 85 ALA HA 1 86 ARG H . . 3.340 2.205 2.142 2.477 . 0 0 "[ . 1 . 2]" 1
1403 1 44 TYR HA 1 85 ALA HA . . 3.250 2.751 2.551 3.033 . 0 0 "[ . 1 . 2]" 1
1404 1 33 GLU HA 1 34 PRO QD . . 3.160 2.026 1.953 2.155 . 0 0 "[ . 1 . 2]" 1
1405 1 61 LEU HA 1 61 LEU HG . . 3.590 2.931 2.641 3.165 . 0 0 "[ . 1 . 2]" 1
1406 1 61 LEU HA 1 62 LYS H . . 2.910 2.202 2.148 2.352 . 0 0 "[ . 1 . 2]" 1
1407 1 47 LYS HG2 1 49 TYR QE . . 4.420 4.050 3.384 4.424 0.004 14 0 "[ . 1 . 2]" 1
1408 1 49 TYR QE 1 80 VAL HB . . 4.050 2.959 2.753 3.297 . 0 0 "[ . 1 . 2]" 1
1409 1 48 TYR QE 1 61 LEU QB . . 3.580 2.038 1.933 2.228 . 0 0 "[ . 1 . 2]" 1
1410 1 58 TYR QE 1 60 THR HB . . 4.890 4.466 4.092 4.876 . 0 0 "[ . 1 . 2]" 1
1411 1 74 LYS QB 1 79 TYR QE . . 4.030 2.855 2.038 3.428 . 0 0 "[ . 1 . 2]" 1
1412 1 73 LEU HB3 1 79 TYR QE . . 4.030 2.666 2.373 2.916 . 0 0 "[ . 1 . 2]" 1
1413 1 17 ILE MG 1 31 TRP HE3 . . 4.510 3.850 3.341 4.561 0.051 20 0 "[ . 1 . 2]" 1
1414 1 31 TRP HE3 1 46 ILE MD . . 5.500 4.574 4.078 4.949 . 0 0 "[ . 1 . 2]" 1
1415 1 31 TRP HZ3 1 68 ALA MB . . 3.880 2.585 2.313 2.867 . 0 0 "[ . 1 . 2]" 1
1416 1 31 TRP HZ3 1 46 ILE MD . . 4.510 2.832 2.227 3.262 . 0 0 "[ . 1 . 2]" 1
1417 1 70 VAL HB 1 81 PHE HZ . . 4.860 3.310 2.945 3.712 . 0 0 "[ . 1 . 2]" 1
1418 1 79 TYR HB3 1 81 PHE HZ . . 4.710 3.817 3.343 4.093 . 0 0 "[ . 1 . 2]" 1
1419 1 47 LYS HG3 1 94 PHE HZ . . 5.500 4.675 3.600 5.385 . 0 0 "[ . 1 . 2]" 1
1420 1 79 TYR HB2 1 81 PHE QE . . 4.000 3.133 2.671 3.493 . 0 0 "[ . 1 . 2]" 1
1421 1 94 PHE HA 1 94 PHE QE . . 4.570 4.275 4.175 4.408 . 0 0 "[ . 1 . 2]" 1
1422 1 82 GLN HB2 1 94 PHE QD . . 4.320 3.445 2.953 3.838 . 0 0 "[ . 1 . 2]" 1
1423 1 47 LYS HG3 1 94 PHE QE . . 5.440 4.875 4.257 5.334 . 0 0 "[ . 1 . 2]" 1
1424 1 17 ILE MD 1 94 PHE QD . . 5.500 5.316 4.852 5.510 0.010 19 0 "[ . 1 . 2]" 1
1425 1 47 LYS H 1 94 PHE QD . . 4.990 4.089 3.709 4.538 . 0 0 "[ . 1 . 2]" 1
1426 1 84 ARG H 1 94 PHE QD . . 5.360 4.045 3.700 4.319 . 0 0 "[ . 1 . 2]" 1
1427 1 83 VAL H 1 94 PHE QD . . 5.500 3.945 3.574 4.171 . 0 0 "[ . 1 . 2]" 1
1428 1 94 PHE H 1 94 PHE QD . . 5.500 3.278 2.905 3.608 . 0 0 "[ . 1 . 2]" 1
1429 1 47 LYS HG3 1 58 TYR QD . . 3.980 2.227 1.993 2.815 . 0 0 "[ . 1 . 2]" 1
1430 1 58 TYR H 1 58 TYR QD . . 4.500 2.385 1.898 2.794 . 0 0 "[ . 1 . 2]" 1
1431 1 47 LYS HG2 1 49 TYR QD . . 4.070 2.793 2.473 3.109 . 0 0 "[ . 1 . 2]" 1
1432 1 47 LYS HE3 1 49 TYR QD . . 4.680 2.730 2.004 3.837 . 0 0 "[ . 1 . 2]" 1
1433 1 49 TYR QD 1 58 TYR HB2 . . 4.350 3.462 2.293 3.924 . 0 0 "[ . 1 . 2]" 1
1434 1 49 TYR HA 1 49 TYR QD . . 4.250 3.690 3.660 3.727 . 0 0 "[ . 1 . 2]" 1
1435 1 12 SER QB 1 13 GLN H . . 4.060 3.011 2.301 3.739 . 0 0 "[ . 1 . 2]" 1
1436 1 48 TYR QE 1 61 LEU H . . 4.950 3.510 2.686 4.274 . 0 0 "[ . 1 . 2]" 1
1437 1 46 ILE MG 1 48 TYR QE . . 4.650 4.053 3.161 4.644 . 0 0 "[ . 1 . 2]" 1
1438 1 49 TYR QD 1 53 LYS H . . 4.980 4.732 4.047 5.018 0.038 6 0 "[ . 1 . 2]" 1
1439 1 49 TYR QD 1 80 VAL MG1 . . 4.700 4.226 4.031 4.492 . 0 0 "[ . 1 . 2]" 1
1440 1 49 TYR QE 1 52 ASP H . . 5.500 5.432 5.147 5.558 0.058 7 0 "[ . 1 . 2]" 1
1441 1 49 TYR QE 1 51 LYS HG3 . . 5.500 5.268 4.960 5.545 0.045 18 0 "[ . 1 . 2]" 1
1442 1 46 ILE MG 1 81 PHE QE . . 4.450 3.804 3.391 4.329 . 0 0 "[ . 1 . 2]" 1
1443 1 50 GLU HA 1 79 TYR QE . . 4.390 3.256 2.824 3.756 . 0 0 "[ . 1 . 2]" 1
1444 1 94 PHE QD 1 95 SER H . . 4.710 2.874 2.675 3.121 . 0 0 "[ . 1 . 2]" 1
1445 1 46 ILE HA 1 94 PHE QE . . 5.290 3.402 2.374 3.804 . 0 0 "[ . 1 . 2]" 1
1446 1 82 GLN HB3 1 94 PHE QE . . 4.630 3.793 3.451 3.995 . 0 0 "[ . 1 . 2]" 1
1447 1 81 PHE QD 1 99 GLU HA . . 4.780 4.589 4.313 4.796 0.016 16 0 "[ . 1 . 2]" 1
1448 1 81 PHE HZ 1 102 THR MG . . 5.340 4.100 3.710 4.477 . 0 0 "[ . 1 . 2]" 1
1449 1 81 PHE HZ 1 100 VAL MG1 . . 5.010 4.283 3.752 4.778 . 0 0 "[ . 1 . 2]" 1
1450 1 31 TRP HD1 1 32 GLN H . . 4.800 3.961 3.217 4.274 . 0 0 "[ . 1 . 2]" 1
1451 1 31 TRP HD1 1 32 GLN HA . . 5.170 4.199 3.686 4.442 . 0 0 "[ . 1 . 2]" 1
1452 1 31 TRP HD1 1 33 GLU HA . . 5.500 4.049 3.810 4.245 . 0 0 "[ . 1 . 2]" 1
1453 1 31 TRP HZ2 1 66 THR MG . . 5.500 4.464 4.125 4.720 . 0 0 "[ . 1 . 2]" 1
1454 1 31 TRP HH2 1 46 ILE HG12 . . 4.820 3.919 3.661 4.175 . 0 0 "[ . 1 . 2]" 1
1455 1 31 TRP HH2 1 68 ALA H . . 5.160 3.636 3.291 4.343 . 0 0 "[ . 1 . 2]" 1
1456 1 23 GLY HA2 1 26 SER H . . 5.020 4.676 4.366 5.089 0.069 19 0 "[ . 1 . 2]" 1
1457 1 58 TYR HA 1 59 SER H . . 3.410 2.277 2.184 2.317 . 0 0 "[ . 1 . 2]" 1
1458 1 58 TYR HA 1 58 TYR QD . . 4.190 3.715 3.626 3.741 . 0 0 "[ . 1 . 2]" 1
1459 1 49 TYR HB3 1 58 TYR HA . . 3.730 3.148 2.015 3.631 . 0 0 "[ . 1 . 2]" 1
1460 1 49 TYR HB2 1 58 TYR HA . . 3.920 3.660 2.189 3.974 0.054 6 0 "[ . 1 . 2]" 1
1461 1 49 TYR QD 1 58 TYR HB3 . . 4.350 3.880 3.073 4.353 0.003 15 0 "[ . 1 . 2]" 1
1462 1 11 PRO HA 1 12 SER H . . 3.320 2.370 2.175 2.711 . 0 0 "[ . 1 . 2]" 1
1463 1 11 PRO HA 1 37 PRO HA . . 3.870 3.146 2.354 3.763 . 0 0 "[ . 1 . 2]" 1
1464 1 11 PRO HA 1 38 ASN HB3 . . 4.310 3.990 3.713 4.331 0.021 11 0 "[ . 1 . 2]" 1
1465 1 12 SER QB 1 36 GLN HB3 . . 4.280 4.073 3.441 4.329 0.049 17 0 "[ . 1 . 2]" 1
1466 1 15 VAL H 1 16 VAL MG2 . . 5.500 4.481 3.065 5.587 0.087 16 0 "[ . 1 . 2]" 1
1467 1 17 ILE HA 1 18 ARG H . . 3.190 2.191 2.144 2.255 . 0 0 "[ . 1 . 2]" 1
1468 1 17 ILE HA 1 31 TRP HB3 . . 4.240 2.830 2.545 3.348 . 0 0 "[ . 1 . 2]" 1
1469 1 17 ILE HA 1 17 ILE HG12 . . 3.990 2.532 2.401 2.654 . 0 0 "[ . 1 . 2]" 1
1470 1 17 ILE HA 1 17 ILE MG . . 3.550 2.478 2.376 2.581 . 0 0 "[ . 1 . 2]" 1
1471 1 17 ILE H 1 17 ILE HG13 . . 4.970 3.342 3.109 3.620 . 0 0 "[ . 1 . 2]" 1
1472 1 17 ILE HG13 1 31 TRP HE3 . . 5.500 5.399 5.113 5.517 0.017 10 0 "[ . 1 . 2]" 1
1473 1 17 ILE HG13 1 31 TRP HA . . 5.350 4.259 3.420 4.585 . 0 0 "[ . 1 . 2]" 1
1474 1 17 ILE MD 1 31 TRP HA . . 5.500 5.251 4.602 5.503 0.003 2 0 "[ . 1 . 2]" 1
1475 1 18 ARG HG2 1 19 GLN H . . 4.940 4.378 4.199 4.963 0.023 7 0 "[ . 1 . 2]" 1
1476 1 20 GLU H 1 20 GLU HG3 . . 4.750 3.762 2.921 4.205 . 0 0 "[ . 1 . 2]" 1
1477 1 50 GLU HG3 1 79 TYR QE . . 3.970 2.549 2.029 3.123 . 0 0 "[ . 1 . 2]" 1
1478 1 24 GLN HA 1 103 GLY HA2 . . 4.260 4.115 3.546 4.274 0.014 15 0 "[ . 1 . 2]" 1
1479 1 24 GLN H 1 24 GLN HG2 . . 5.280 4.370 3.649 4.533 . 0 0 "[ . 1 . 2]" 1
1480 1 24 GLN H 1 24 GLN HG3 . . 5.280 3.951 2.951 4.405 . 0 0 "[ . 1 . 2]" 1
1481 1 24 GLN HG2 1 103 GLY H . . 5.280 4.393 3.964 5.032 . 0 0 "[ . 1 . 2]" 1
1482 1 24 GLN HG3 1 103 GLY H . . 5.280 4.314 3.374 4.856 . 0 0 "[ . 1 . 2]" 1
1483 1 25 THR HA 1 73 LEU MD1 . . 4.470 4.041 3.652 4.419 . 0 0 "[ . 1 . 2]" 1
1484 1 25 THR MG 1 73 LEU H . . 4.430 3.943 3.579 4.292 . 0 0 "[ . 1 . 2]" 1
1485 1 22 ALA HA 1 27 VAL HA . . 3.240 2.336 1.921 2.560 . 0 0 "[ . 1 . 2]" 1
1486 1 20 GLU H 1 28 SER HB2 . . 5.350 4.974 4.673 5.391 0.041 17 0 "[ . 1 . 2]" 1
1487 1 29 LEU HB3 1 68 ALA H . . 5.500 5.168 4.311 5.505 0.005 17 0 "[ . 1 . 2]" 1
1488 1 29 LEU HB2 1 46 ILE MD . . 4.460 3.907 3.614 4.439 . 0 0 "[ . 1 . 2]" 1
1489 1 17 ILE MG 1 29 LEU HB2 . . 5.250 4.415 3.659 5.153 . 0 0 "[ . 1 . 2]" 1
1490 1 29 LEU HB2 1 46 ILE MG . . 5.500 4.219 3.990 4.459 . 0 0 "[ . 1 . 2]" 1
1491 1 30 LEU HA 1 30 LEU HG . . 3.970 2.986 2.729 3.183 . 0 0 "[ . 1 . 2]" 1
1492 1 32 GLN HA 1 33 GLU H . . 2.880 2.406 2.261 2.530 . 0 0 "[ . 1 . 2]" 1
1493 1 32 GLN HA 1 32 GLN HG3 . . 4.040 3.524 2.949 3.611 . 0 0 "[ . 1 . 2]" 1
1494 1 34 PRO HA 1 35 GLU HG3 . . 5.060 4.193 3.929 4.529 . 0 0 "[ . 1 . 2]" 1
1495 1 37 PRO HG3 1 39 GLY H . . 5.140 4.347 4.275 4.431 . 0 0 "[ . 1 . 2]" 1
1496 1 37 PRO HG3 1 38 ASN H . . 4.890 4.122 3.811 4.690 . 0 0 "[ . 1 . 2]" 1
1497 1 36 GLN H 1 37 PRO HD2 . . 4.980 4.386 2.380 4.590 . 0 0 "[ . 1 . 2]" 1
1498 1 40 ILE HG12 1 41 ILE H . . 5.200 5.056 4.702 5.197 . 0 0 "[ . 1 . 2]" 1
1499 1 40 ILE HG12 1 40 ILE MG . . 3.100 2.186 1.992 3.182 0.082 10 0 "[ . 1 . 2]" 1
1500 1 40 ILE HG13 1 40 ILE MG . . 3.100 2.648 2.415 2.736 . 0 0 "[ . 1 . 2]" 1
1501 1 40 ILE HB 1 40 ILE MD . . 3.130 2.293 2.108 3.206 0.076 15 0 "[ . 1 . 2]" 1
1502 1 43 GLU HA 1 44 TYR H . . 3.050 2.414 2.319 2.533 . 0 0 "[ . 1 . 2]" 1
1503 1 43 GLU HA 1 64 VAL MG1 . . 4.140 4.073 3.579 4.152 0.012 20 0 "[ . 1 . 2]" 1
1504 1 43 GLU HG2 1 64 VAL MG1 . . 5.500 5.153 4.485 5.379 . 0 0 "[ . 1 . 2]" 1
1505 1 43 GLU HG3 1 64 VAL MG1 . . 5.500 5.134 4.310 5.484 . 0 0 "[ . 1 . 2]" 1
1506 1 45 GLU H 1 45 GLU HG3 . . 4.830 4.188 3.277 4.628 . 0 0 "[ . 1 . 2]" 1
1507 1 46 ILE HA 1 47 LYS H . . 3.160 2.150 2.138 2.200 . 0 0 "[ . 1 . 2]" 1
1508 1 46 ILE HG13 1 47 LYS H . . 5.110 4.781 4.328 4.895 . 0 0 "[ . 1 . 2]" 1
1509 1 46 ILE HG12 1 47 LYS H . . 4.920 4.731 4.460 4.972 0.052 20 0 "[ . 1 . 2]" 1
1510 1 49 TYR HA 1 50 GLU H . . 3.170 2.394 2.324 2.507 . 0 0 "[ . 1 . 2]" 1
1511 1 50 GLU HB3 1 79 TYR QE . . 5.420 4.963 4.489 5.251 . 0 0 "[ . 1 . 2]" 1
1512 1 51 LYS HD2 1 52 ASP H . . 5.100 4.663 3.561 5.024 . 0 0 "[ . 1 . 2]" 1
1513 1 51 LYS HD3 1 52 ASP H . . 5.500 5.369 4.717 5.514 0.014 16 0 "[ . 1 . 2]" 1
1514 1 51 LYS H 1 51 LYS HD3 . . 5.320 4.967 4.700 5.118 . 0 0 "[ . 1 . 2]" 1
1515 1 51 LYS H 1 51 LYS HD2 . . 5.190 4.758 4.589 5.090 . 0 0 "[ . 1 . 2]" 1
1516 1 53 LYS HA 1 53 LYS HG3 . . 3.970 3.835 3.725 3.966 . 0 0 "[ . 1 . 2]" 1
1517 1 53 LYS HA 1 53 LYS HD3 . . 3.850 2.751 2.033 3.851 0.001 10 0 "[ . 1 . 2]" 1
1518 1 53 LYS HA 1 53 LYS HD2 . . 3.850 3.084 2.038 3.868 0.018 2 0 "[ . 1 . 2]" 1
1519 1 51 LYS HG2 1 52 ASP HA . . 4.920 4.783 4.603 4.907 . 0 0 "[ . 1 . 2]" 1
1520 1 49 TYR QD 1 54 GLU HG3 . . 5.020 3.880 2.768 4.957 . 0 0 "[ . 1 . 2]" 1
1521 1 54 GLU HG3 1 55 MET H . . 5.220 4.589 3.551 5.281 0.061 16 0 "[ . 1 . 2]" 1
1522 1 49 TYR QD 1 55 MET ME . . 5.470 4.418 3.141 5.539 0.069 5 0 "[ . 1 . 2]" 1
1523 1 49 TYR QE 1 55 MET ME . . 5.500 5.290 4.545 5.559 0.059 6 0 "[ . 1 . 2]" 1
1524 1 57 SER HB2 1 58 TYR H . . 5.050 4.107 3.391 4.566 . 0 0 "[ . 1 . 2]" 1
1525 1 47 LYS HG3 1 58 TYR HB3 . . 4.980 4.168 3.543 4.808 . 0 0 "[ . 1 . 2]" 1
1526 1 60 THR HB 1 61 LEU H . . 5.380 3.596 2.533 3.983 . 0 0 "[ . 1 . 2]" 1
1527 1 48 TYR H 1 60 THR MG . . 5.080 4.757 4.004 5.056 . 0 0 "[ . 1 . 2]" 1
1528 1 61 LEU MD2 1 70 VAL H . . 5.120 3.773 3.357 4.250 . 0 0 "[ . 1 . 2]" 1
1529 1 61 LEU H 1 61 LEU MD2 . . 5.080 4.426 4.172 4.565 . 0 0 "[ . 1 . 2]" 1
1530 1 46 ILE HB 1 61 LEU MD2 . . 4.120 2.988 2.588 3.524 . 0 0 "[ . 1 . 2]" 1
1531 1 46 ILE MD 1 61 LEU MD2 . . 3.440 2.190 1.821 2.798 . 0 0 "[ . 1 . 2]" 1
1532 1 61 LEU QB 1 61 LEU MD1 . . 3.050 2.174 1.994 2.265 . 0 0 "[ . 1 . 2]" 1
1533 1 46 ILE H 1 61 LEU MD1 . . 5.500 5.464 5.291 5.523 0.023 6 0 "[ . 1 . 2]" 1
1534 1 44 TYR HB2 1 45 GLU HA . . 5.500 5.179 4.916 5.347 . 0 0 "[ . 1 . 2]" 1
1535 1 45 GLU HA 1 62 LYS QE . . 5.500 4.699 3.779 5.496 . 0 0 "[ . 1 . 2]" 1
1536 1 62 LYS HA 1 62 LYS QE . . 4.920 4.230 3.716 4.631 . 0 0 "[ . 1 . 2]" 1
1537 1 61 LEU MD2 1 63 ALA MB . . 3.860 3.354 2.818 3.855 . 0 0 "[ . 1 . 2]" 1
1538 1 31 TRP H 1 66 THR HA . . 4.810 4.550 4.039 4.743 . 0 0 "[ . 1 . 2]" 1
1539 1 63 ALA MB 1 66 THR HA . . 5.000 4.609 4.395 4.726 . 0 0 "[ . 1 . 2]" 1
1540 1 29 LEU MD2 1 100 VAL MG2 . . 3.430 3.060 2.479 3.437 0.007 20 0 "[ . 1 . 2]" 1
1541 1 99 GLU HA 1 100 VAL MG2 . . 4.020 3.743 3.591 3.888 . 0 0 "[ . 1 . 2]" 1
1542 1 67 ARG HG3 1 68 ALA H . . 5.490 5.020 4.114 5.247 . 0 0 "[ . 1 . 2]" 1
1543 1 67 ARG QD 1 68 ALA H . . 5.500 5.439 5.227 5.551 0.051 18 0 "[ . 1 . 2]" 1
1544 1 66 THR H 1 67 ARG QD . . 5.460 4.900 3.434 5.319 . 0 0 "[ . 1 . 2]" 1
1545 1 31 TRP HZ3 1 68 ALA HA . . 5.470 4.963 4.671 5.234 . 0 0 "[ . 1 . 2]" 1
1546 1 31 TRP HH2 1 68 ALA HA . . 5.500 4.437 3.975 4.771 . 0 0 "[ . 1 . 2]" 1
1547 1 68 ALA MB 1 70 VAL H . . 5.010 4.402 4.210 4.849 . 0 0 "[ . 1 . 2]" 1
1548 1 64 VAL H 1 68 ALA MB . . 5.190 4.993 4.592 5.202 0.012 11 0 "[ . 1 . 2]" 1
1549 1 69 THR HA 1 70 VAL H . . 2.950 2.161 2.142 2.182 . 0 0 "[ . 1 . 2]" 1
1550 1 28 SER HA 1 69 THR HA . . 3.070 2.062 1.988 2.206 . 0 0 "[ . 1 . 2]" 1
1551 1 70 VAL HA 1 71 SER HA . . 4.770 4.400 4.393 4.416 . 0 0 "[ . 1 . 2]" 1
1552 1 69 THR HA 1 70 VAL HB . . 4.840 4.609 4.524 4.707 . 0 0 "[ . 1 . 2]" 1
1553 1 71 SER HA 1 73 LEU MD1 . . 4.740 3.708 3.411 4.269 . 0 0 "[ . 1 . 2]" 1
1554 1 74 LYS HA 1 74 LYS HG3 . . 3.790 2.608 2.418 2.787 . 0 0 "[ . 1 . 2]" 1
1555 1 76 GLY HA2 1 102 THR HG1 . . 5.500 4.311 3.759 4.692 . 0 0 "[ . 1 . 2]" 1
1556 1 76 GLY HA3 1 102 THR HG1 . . 5.500 5.170 4.815 5.481 . 0 0 "[ . 1 . 2]" 1
1557 1 77 THR HB 1 102 THR H . . 5.110 4.995 4.836 5.128 0.018 20 0 "[ . 1 . 2]" 1
1558 1 74 LYS H 1 77 THR HB . . 4.890 4.005 3.716 4.226 . 0 0 "[ . 1 . 2]" 1
1559 1 77 THR HB 1 78 ARG H . . 5.350 4.303 4.195 4.383 . 0 0 "[ . 1 . 2]" 1
1560 1 51 LYS H 1 78 ARG HB3 . . 4.940 3.965 3.781 4.140 . 0 0 "[ . 1 . 2]" 1
1561 1 78 ARG HB3 1 101 GLU HA . . 5.170 4.628 4.305 4.872 . 0 0 "[ . 1 . 2]" 1
1562 1 77 THR MG 1 78 ARG HB3 . . 4.960 4.798 4.641 4.939 . 0 0 "[ . 1 . 2]" 1
1563 1 78 ARG HG2 1 101 GLU HG2 . . 4.540 3.960 3.710 4.443 . 0 0 "[ . 1 . 2]" 1
1564 1 78 ARG HD2 1 79 TYR H . . 5.500 5.410 5.182 5.507 0.007 5 0 "[ . 1 . 2]" 1
1565 1 78 ARG H 1 78 ARG HD2 . . 5.230 4.523 4.317 4.692 . 0 0 "[ . 1 . 2]" 1
1566 1 78 ARG HD3 1 79 TYR H . . 5.500 4.558 4.158 4.938 . 0 0 "[ . 1 . 2]" 1
1567 1 78 ARG H 1 78 ARG HD3 . . 5.230 5.190 5.060 5.232 0.002 15 0 "[ . 1 . 2]" 1
1568 1 80 VAL MG1 1 100 VAL H . . 5.390 5.293 5.052 5.407 0.017 16 0 "[ . 1 . 2]" 1
1569 1 81 PHE HB3 1 98 MET ME . . 4.990 4.851 4.337 4.991 0.001 15 0 "[ . 1 . 2]" 1
1570 1 82 GLN HG2 1 98 MET H . . 5.080 3.404 3.047 3.794 . 0 0 "[ . 1 . 2]" 1
1571 1 82 GLN HG3 1 98 MET H . . 5.080 3.665 2.905 4.951 . 0 0 "[ . 1 . 2]" 1
1572 1 46 ILE HG12 1 83 VAL HA . . 4.930 3.366 2.781 4.004 . 0 0 "[ . 1 . 2]" 1
1573 1 84 ARG HB3 1 85 ALA H . . 5.020 3.944 3.771 4.118 . 0 0 "[ . 1 . 2]" 1
1574 1 84 ARG HB2 1 85 ALA H . . 5.020 2.676 2.323 3.013 . 0 0 "[ . 1 . 2]" 1
1575 1 84 ARG HB3 1 94 PHE QD . . 5.200 2.505 2.130 2.995 . 0 0 "[ . 1 . 2]" 1
1576 1 84 ARG HB2 1 94 PHE QD . . 5.200 4.134 3.804 4.521 . 0 0 "[ . 1 . 2]" 1
1577 1 43 GLU H 1 86 ARG HB2 . . 5.450 5.137 4.382 5.452 0.002 12 0 "[ . 1 . 2]" 1
1578 1 43 GLU H 1 86 ARG HB3 . . 5.450 3.498 2.640 4.642 . 0 0 "[ . 1 . 2]" 1
1579 1 42 LEU MD1 1 86 ARG HG2 . . 4.960 3.112 1.996 4.296 . 0 0 "[ . 1 . 2]" 1
1580 1 42 LEU MD1 1 86 ARG HG3 . . 4.960 4.045 2.156 4.957 . 0 0 "[ . 1 . 2]" 1
1581 1 42 LEU MD2 1 88 SER HB3 . . 4.900 3.779 2.563 4.759 . 0 0 "[ . 1 . 2]" 1
1582 1 94 PHE HB2 1 95 SER H . . 5.050 4.158 3.711 4.371 . 0 0 "[ . 1 . 2]" 1
1583 1 95 SER HA 1 96 GLN QG . . 4.650 4.305 3.714 4.658 0.008 2 0 "[ . 1 . 2]" 1
1584 1 82 GLN HE22 1 97 ALA MB . . 4.690 3.792 3.136 4.382 . 0 0 "[ . 1 . 2]" 1
1585 1 82 GLN HE21 1 97 ALA MB . . 4.690 3.524 2.684 4.156 . 0 0 "[ . 1 . 2]" 1
1586 1 49 TYR QE 1 97 ALA MB . . 5.250 4.926 3.996 5.238 . 0 0 "[ . 1 . 2]" 1
1587 1 98 MET H 1 98 MET HG3 . . 4.970 4.479 4.261 4.701 . 0 0 "[ . 1 . 2]" 1
1588 1 81 PHE HB2 1 98 MET ME . . 4.060 3.872 3.093 4.062 0.002 2 0 "[ . 1 . 2]" 1
1589 1 98 MET ME 1 98 MET HG2 . . 3.470 2.333 2.014 2.996 . 0 0 "[ . 1 . 2]" 1
1590 1 98 MET ME 1 98 MET HG3 . . 3.470 2.705 2.042 3.249 . 0 0 "[ . 1 . 2]" 1
1591 1 47 LYS HA 1 48 TYR H . . 2.980 2.142 2.140 2.147 . 0 0 "[ . 1 . 2]" 1
1592 1 79 TYR H 1 101 GLU HG2 . . 5.500 5.424 5.209 5.517 0.017 16 0 "[ . 1 . 2]" 1
1593 1 78 ARG HA 1 101 GLU HG2 . . 4.290 3.502 3.253 3.639 . 0 0 "[ . 1 . 2]" 1
1594 1 78 ARG HA 1 101 GLU HG3 . . 4.050 2.844 2.364 3.170 . 0 0 "[ . 1 . 2]" 1
1595 1 73 LEU H 1 102 THR MG . . 5.410 4.984 4.462 5.348 . 0 0 "[ . 1 . 2]" 1
1596 1 76 GLY H 1 105 PRO HD2 . . 4.830 4.379 4.067 4.765 . 0 0 "[ . 1 . 2]" 1
1597 1 104 LYS H 1 105 PRO HD2 . . 5.060 4.769 4.740 4.826 . 0 0 "[ . 1 . 2]" 1
1598 1 104 LYS H 1 105 PRO HD3 . . 5.280 5.013 4.959 5.041 . 0 0 "[ . 1 . 2]" 1
1599 1 107 GLY HA3 1 108 PRO QG . . 4.600 4.112 3.871 4.451 . 0 0 "[ . 1 . 2]" 1
1600 1 12 SER HG 1 36 GLN HB2 . . 5.380 3.764 2.817 5.404 0.024 20 0 "[ . 1 . 2]" 1
1601 1 41 ILE MG 1 44 TYR HH . . 4.860 3.959 3.209 4.445 . 0 0 "[ . 1 . 2]" 1
1602 1 28 SER HB2 1 69 THR HG1 . . 3.520 2.219 1.991 2.569 . 0 0 "[ . 1 . 2]" 1
1603 1 56 GLN HB2 1 57 SER H . . 4.890 3.045 2.032 3.872 . 0 0 "[ . 1 . 2]" 1
1604 1 70 VAL MG2 1 73 LEU MD2 . . 4.420 4.094 3.892 4.297 . 0 0 "[ . 1 . 2]" 1
1605 1 70 VAL MG2 1 73 LEU MD1 . . 4.000 3.820 3.661 3.989 . 0 0 "[ . 1 . 2]" 1
1606 1 27 VAL HB 1 70 VAL MG1 . . 4.540 4.182 3.794 4.669 0.129 17 0 "[ . 1 . 2]" 1
1607 1 26 SER HA 1 70 VAL MG1 . . 4.770 4.264 3.467 4.643 . 0 0 "[ . 1 . 2]" 1
1608 1 81 PHE QD 1 100 VAL MG1 . . 4.500 3.991 3.594 4.301 . 0 0 "[ . 1 . 2]" 1
1609 1 19 GLN HE22 1 100 VAL MG1 . . 4.670 2.738 1.976 4.248 . 0 0 "[ . 1 . 2]" 1
1610 1 102 THR HB 1 103 GLY H . . 3.450 2.209 1.994 2.587 . 0 0 "[ . 1 . 2]" 1
1611 1 17 ILE HA 1 31 TRP HB2 . . 4.240 3.562 3.350 3.985 . 0 0 "[ . 1 . 2]" 1
1612 1 20 GLU H 1 29 LEU HA . . 3.470 3.165 2.720 3.502 0.032 15 0 "[ . 1 . 2]" 1
1613 1 29 LEU H 1 69 THR HA . . 3.640 3.314 2.920 3.627 . 0 0 "[ . 1 . 2]" 1
1614 1 17 ILE MD 1 83 VAL HB . . 3.610 2.064 1.957 2.394 . 0 0 "[ . 1 . 2]" 1
1615 1 37 PRO HG3 1 41 ILE MD . . 3.780 3.649 3.000 3.813 0.033 19 0 "[ . 1 . 2]" 1
1616 1 45 GLU H 1 85 ALA HA . . 4.220 3.776 3.561 4.044 . 0 0 "[ . 1 . 2]" 1
1617 1 103 GLY HA3 1 104 LYS HA . . 4.980 4.808 4.670 4.876 . 0 0 "[ . 1 . 2]" 1
1618 1 17 ILE MD 1 81 PHE HB2 . . 4.660 4.515 4.322 4.666 0.006 9 0 "[ . 1 . 2]" 1
1619 1 17 ILE MD 1 98 MET HB3 . . 4.270 4.011 3.709 4.284 0.014 10 0 "[ . 1 . 2]" 1
1620 1 65 THR HA 1 65 THR HB . . 2.870 2.383 2.325 2.453 . 0 0 "[ . 1 . 2]" 1
1621 1 33 GLU HB2 1 66 THR MG . . 4.750 4.427 3.844 4.750 0.000 4 0 "[ . 1 . 2]" 1
1622 1 17 ILE HB 1 31 TRP HB2 . . 5.500 5.484 5.364 5.557 0.057 15 0 "[ . 1 . 2]" 1
1623 1 17 ILE HB 1 31 TRP HB3 . . 5.500 4.849 4.697 5.056 . 0 0 "[ . 1 . 2]" 1
1624 1 17 ILE H 1 17 ILE MD . . 4.800 4.258 4.074 4.438 . 0 0 "[ . 1 . 2]" 1
1625 1 17 ILE MD 1 18 ARG H . . 5.160 4.923 4.759 5.104 . 0 0 "[ . 1 . 2]" 1
1626 1 17 ILE MD 1 31 TRP HB3 . . 4.840 3.720 3.270 3.956 . 0 0 "[ . 1 . 2]" 1
1627 1 17 ILE MD 1 31 TRP HB2 . . 4.840 4.165 3.750 4.368 . 0 0 "[ . 1 . 2]" 1
1628 1 17 ILE H 1 17 ILE HG12 . . 4.830 4.401 4.246 4.580 . 0 0 "[ . 1 . 2]" 1
1629 1 49 TYR HB3 1 58 TYR HB2 . . 4.030 2.763 2.025 3.218 . 0 0 "[ . 1 . 2]" 1
1630 1 49 TYR HB3 1 58 TYR HB3 . . 4.030 3.203 2.388 3.715 . 0 0 "[ . 1 . 2]" 1
1631 1 18 ARG HB3 1 18 ARG HD2 . . 3.970 3.518 3.103 3.953 . 0 0 "[ . 1 . 2]" 1
1632 1 18 ARG HB2 1 18 ARG HD2 . . 3.970 2.828 2.160 3.706 . 0 0 "[ . 1 . 2]" 1
1633 1 74 LYS HG3 1 75 PRO HD3 . . 4.890 4.704 4.480 4.913 0.023 19 0 "[ . 1 . 2]" 1
1634 1 41 ILE MG 1 44 TYR HD2 . . 4.630 4.240 3.400 4.635 0.005 8 0 "[ . 1 . 2]" 1
1635 1 75 PRO HB3 1 104 LYS HA . . 4.740 4.422 4.152 4.758 0.018 15 0 "[ . 1 . 2]" 1
1636 1 75 PRO HB3 1 105 PRO HA . . 4.980 4.307 3.841 4.824 . 0 0 "[ . 1 . 2]" 1
1637 1 102 THR HA 1 103 GLY HA2 . . 4.410 4.314 4.301 4.334 . 0 0 "[ . 1 . 2]" 1
1638 1 100 VAL MG1 1 102 THR HA . . 4.160 3.924 3.626 4.119 . 0 0 "[ . 1 . 2]" 1
1639 1 22 ALA MB 1 27 VAL HA . . 3.950 3.741 3.301 3.971 0.021 7 0 "[ . 1 . 2]" 1
1640 1 29 LEU HA 1 30 LEU QB . . 4.790 3.962 3.775 4.102 . 0 0 "[ . 1 . 2]" 1
1641 1 64 VAL MG2 1 65 THR HB . . 4.250 2.928 2.793 3.094 . 0 0 "[ . 1 . 2]" 1
1642 1 64 VAL MG2 1 65 THR HA . . 4.170 3.541 3.453 3.696 . 0 0 "[ . 1 . 2]" 1
1643 1 79 TYR HA 1 80 VAL MG2 . . 4.010 3.412 3.199 3.635 . 0 0 "[ . 1 . 2]" 1
1644 1 49 TYR H 1 80 VAL MG2 . . 4.770 4.383 4.231 4.538 . 0 0 "[ . 1 . 2]" 1
1645 1 48 TYR H 1 59 SER HB3 . . 5.160 4.694 3.274 5.143 . 0 0 "[ . 1 . 2]" 1
1646 1 48 TYR H 1 59 SER HB2 . . 5.160 4.103 3.327 5.050 . 0 0 "[ . 1 . 2]" 1
1647 1 79 TYR HB2 1 81 PHE QD . . 5.210 4.533 4.274 4.780 . 0 0 "[ . 1 . 2]" 1
1648 1 79 TYR HB3 1 81 PHE QD . . 5.210 4.165 3.904 4.341 . 0 0 "[ . 1 . 2]" 1
1649 1 31 TRP HH2 1 66 THR HA . . 4.890 4.493 4.159 4.731 . 0 0 "[ . 1 . 2]" 1
1650 1 31 TRP HE3 1 66 THR HA . . 5.500 5.408 5.022 5.523 0.023 13 0 "[ . 1 . 2]" 1
1651 1 31 TRP HD1 1 66 THR HB . . 4.880 4.277 3.755 4.566 . 0 0 "[ . 1 . 2]" 1
1652 1 44 TYR QE 1 66 THR MG . . 3.810 3.394 2.997 3.751 . 0 0 "[ . 1 . 2]" 1
1653 1 81 PHE QE 1 100 VAL MG2 . . 3.640 3.290 2.907 3.578 . 0 0 "[ . 1 . 2]" 1
1654 1 30 LEU HA 1 31 TRP HE3 . . 4.460 3.377 3.229 3.645 . 0 0 "[ . 1 . 2]" 1
1655 1 29 LEU HG 1 31 TRP HE3 . . 5.500 5.481 5.295 5.578 0.078 11 0 "[ . 1 . 2]" 1
1656 1 29 LEU HG 1 31 TRP HZ3 . . 5.110 4.732 4.324 5.086 . 0 0 "[ . 1 . 2]" 1
1657 1 31 TRP HH2 1 44 TYR HB2 . . 5.110 4.121 3.589 4.689 . 0 0 "[ . 1 . 2]" 1
1658 1 31 TRP HH2 1 44 TYR HB3 . . 5.370 4.521 4.207 5.079 . 0 0 "[ . 1 . 2]" 1
1659 1 31 TRP HH2 1 67 ARG HA . . 5.500 4.308 4.018 4.495 . 0 0 "[ . 1 . 2]" 1
1660 1 29 LEU MD1 1 31 TRP HH2 . . 5.390 4.991 4.564 5.391 0.001 15 0 "[ . 1 . 2]" 1
1661 1 48 TYR QD 1 79 TYR QE . . 4.360 3.693 3.159 4.211 . 0 0 "[ . 1 . 2]" 1
1662 1 48 TYR QD 1 79 TYR QD . . 4.350 3.542 3.109 4.014 . 0 0 "[ . 1 . 2]" 1
1663 1 48 TYR QD 1 60 THR HA . . 4.680 4.038 3.480 4.673 . 0 0 "[ . 1 . 2]" 1
1664 1 48 TYR QD 1 49 TYR HA . . 5.330 3.902 3.270 4.512 . 0 0 "[ . 1 . 2]" 1
1665 1 48 TYR QD 1 61 LEU H . . 5.500 4.088 3.639 4.790 . 0 0 "[ . 1 . 2]" 1
1666 1 48 TYR QE 1 60 THR HA . . 4.890 3.778 2.998 4.449 . 0 0 "[ . 1 . 2]" 1
1667 1 48 TYR QE 1 61 LEU HA . . 4.960 3.913 3.606 4.327 . 0 0 "[ . 1 . 2]" 1
1668 1 84 ARG HG2 1 94 PHE QD . . 5.080 3.415 2.947 4.430 . 0 0 "[ . 1 . 2]" 1
1669 1 84 ARG HG3 1 94 PHE QD . . 5.080 4.633 3.471 5.096 0.016 3 0 "[ . 1 . 2]" 1
1670 1 84 ARG HG2 1 94 PHE QE . . 5.020 2.549 2.054 3.819 . 0 0 "[ . 1 . 2]" 1
1671 1 84 ARG HG3 1 94 PHE QE . . 5.020 3.995 2.652 4.900 . 0 0 "[ . 1 . 2]" 1
1672 1 84 ARG HD2 1 94 PHE HZ . . 5.050 4.474 2.992 5.069 0.019 4 0 "[ . 1 . 2]" 1
1673 1 84 ARG HD3 1 94 PHE HZ . . 5.050 3.744 2.579 5.064 0.014 20 0 "[ . 1 . 2]" 1
1674 1 82 GLN HE21 1 94 PHE HB2 . . 4.860 4.111 3.496 4.799 . 0 0 "[ . 1 . 2]" 1
1675 1 83 VAL HB 1 94 PHE QD . . 5.500 5.378 4.861 5.524 0.024 16 0 "[ . 1 . 2]" 1
1676 1 82 GLN HB3 1 94 PHE HZ . . 5.500 5.315 4.688 5.519 0.019 17 0 "[ . 1 . 2]" 1
1677 1 8 GLN QB 1 9 ALA H . . 3.950 2.565 2.107 3.515 . 0 0 "[ . 1 . 2]" 1
1678 1 8 GLN QB 1 89 ALA MB . . 3.530 2.120 1.753 2.870 . 0 0 "[ . 1 . 2]" 1
1679 1 9 ALA H 1 38 ASN QB . . 4.400 3.854 3.266 4.343 . 0 0 "[ . 1 . 2]" 1
1680 1 9 ALA MB 1 38 ASN QB . . 3.390 2.857 1.962 3.298 . 0 0 "[ . 1 . 2]" 1
1681 1 9 ALA MB 1 38 ASN QD . . 3.460 2.693 1.865 3.386 . 0 0 "[ . 1 . 2]" 1
1682 1 10 ALA HA 1 11 PRO QD . . 3.270 2.080 1.988 2.182 . 0 0 "[ . 1 . 2]" 1
1683 1 10 ALA MB 1 11 PRO QD . . 3.010 2.104 1.920 2.451 . 0 0 "[ . 1 . 2]" 1
1684 1 10 ALA MB 1 90 GLY QA . . 4.160 3.669 2.668 4.120 . 0 0 "[ . 1 . 2]" 1
1685 1 10 ALA MB 1 92 GLY QA . . 3.370 2.836 2.177 3.215 . 0 0 "[ . 1 . 2]" 1
1686 1 11 PRO HA 1 38 ASN QB . . 3.710 2.320 2.082 2.685 . 0 0 "[ . 1 . 2]" 1
1687 1 11 PRO HA 1 38 ASN QD . . 3.840 3.096 2.290 3.705 . 0 0 "[ . 1 . 2]" 1
1688 1 11 PRO QB 1 12 SER HA . . 5.180 4.467 4.165 4.703 . 0 0 "[ . 1 . 2]" 1
1689 1 11 PRO QB 1 37 PRO HA . . 3.620 2.770 2.182 3.556 . 0 0 "[ . 1 . 2]" 1
1690 1 11 PRO QB 1 41 ILE MD . . 3.910 3.442 3.037 3.670 . 0 0 "[ . 1 . 2]" 1
1691 1 11 PRO QB 1 85 ALA MB . . 3.460 2.616 2.120 3.023 . 0 0 "[ . 1 . 2]" 1
1692 1 11 PRO QB 1 87 THR MG . . 3.450 2.268 1.946 2.996 . 0 0 "[ . 1 . 2]" 1
1693 1 11 PRO HG2 1 92 GLY QA . . 3.610 2.623 2.082 3.101 . 0 0 "[ . 1 . 2]" 1
1694 1 11 PRO HG3 1 92 GLY QA . . 4.550 4.083 3.451 4.432 . 0 0 "[ . 1 . 2]" 1
1695 1 11 PRO QD 1 85 ALA MB . . 5.230 4.548 4.068 4.827 . 0 0 "[ . 1 . 2]" 1
1696 1 11 PRO QD 1 87 THR MG . . 3.700 2.811 2.278 3.225 . 0 0 "[ . 1 . 2]" 1
1697 1 11 PRO QD 1 89 ALA MB . . 4.410 3.890 3.598 4.263 . 0 0 "[ . 1 . 2]" 1
1698 1 11 PRO QD 1 92 GLY H . . 4.720 3.497 2.615 4.204 . 0 0 "[ . 1 . 2]" 1
1699 1 12 SER QB 1 36 GLN QB . . 3.620 2.981 2.242 3.549 . 0 0 "[ . 1 . 2]" 1
1700 1 12 SER QB 1 36 GLN QG . . 4.740 4.325 1.821 4.718 . 0 0 "[ . 1 . 2]" 1
1701 1 12 SER HG 1 36 GLN QB . . 4.550 3.630 2.780 4.520 . 0 0 "[ . 1 . 2]" 1
1702 1 13 GLN HB2 1 15 VAL QG . . 4.940 4.741 4.494 5.156 0.216 18 0 "[ . 1 . 2]" 1
1703 1 13 GLN HB3 1 15 VAL QG . . 3.650 3.423 3.130 3.724 0.074 18 0 "[ . 1 . 2]" 1
1704 1 13 GLN QG 1 15 VAL QG . . 4.010 3.360 2.865 4.003 . 0 0 "[ . 1 . 2]" 1
1705 1 13 GLN QG 1 93 ARG QB . . 3.680 2.812 2.386 3.305 . 0 0 "[ . 1 . 2]" 1
1706 1 13 GLN QG 1 95 SER HA . . 3.510 2.383 1.805 2.853 . 0 0 "[ . 1 . 2]" 1
1707 1 13 GLN QE 1 93 ARG QB . . 4.990 3.935 2.721 4.593 . 0 0 "[ . 1 . 2]" 1
1708 1 13 GLN QE 1 95 SER HA . . 3.730 2.342 1.887 3.454 . 0 0 "[ . 1 . 2]" 1
1709 1 13 GLN QE 1 96 GLN QG . . 4.270 3.356 2.514 4.162 . 0 0 "[ . 1 . 2]" 1
1710 1 14 VAL H 1 14 VAL QG . . 3.830 2.218 1.893 2.663 . 0 0 "[ . 1 . 2]" 1
1711 1 14 VAL HA 1 15 VAL QG . . 4.320 3.407 3.283 4.407 0.087 18 0 "[ . 1 . 2]" 1
1712 1 14 VAL HB 1 95 SER QB . . 3.920 2.893 1.975 4.010 0.090 16 0 "[ . 1 . 2]" 1
1713 1 14 VAL QG 1 15 VAL H . . 3.780 2.835 2.486 3.649 . 0 0 "[ . 1 . 2]" 1
1714 1 14 VAL QG 1 16 VAL H . . 3.960 2.110 1.816 3.344 . 0 0 "[ . 1 . 2]" 1
1715 1 14 VAL QG 1 31 TRP HA . . 4.500 4.022 3.772 4.448 . 0 0 "[ . 1 . 2]" 1
1716 1 14 VAL QG 1 31 TRP QB . . 3.300 2.253 1.907 2.723 . 0 0 "[ . 1 . 2]" 1
1717 1 14 VAL QG 1 31 TRP HD1 . . 3.500 2.532 2.297 2.827 . 0 0 "[ . 1 . 2]" 1
1718 1 14 VAL QG 1 31 TRP HE1 . . 4.220 3.844 3.580 4.219 . 0 0 "[ . 1 . 2]" 1
1719 1 14 VAL QG 1 32 GLN H . . 4.040 3.662 2.720 3.981 . 0 0 "[ . 1 . 2]" 1
1720 1 14 VAL QG 1 34 PRO HA . . 4.250 3.125 2.197 3.643 . 0 0 "[ . 1 . 2]" 1
1721 1 14 VAL QG 1 34 PRO QB . . 4.330 2.291 1.985 2.725 . 0 0 "[ . 1 . 2]" 1
1722 1 14 VAL QG 1 34 PRO QG . . 3.650 3.063 2.677 3.512 . 0 0 "[ . 1 . 2]" 1
1723 1 14 VAL QG 1 34 PRO QD . . 3.580 2.594 2.209 2.715 . 0 0 "[ . 1 . 2]" 1
1724 1 14 VAL QG 1 44 TYR QE . . 3.900 2.133 1.857 2.624 . 0 0 "[ . 1 . 2]" 1
1725 1 14 VAL QG 1 83 VAL HB . . 3.730 2.978 2.365 3.369 . 0 0 "[ . 1 . 2]" 1
1726 1 14 VAL QG 1 83 VAL QG . . 3.020 2.607 2.233 2.862 . 0 0 "[ . 1 . 2]" 1
1727 1 14 VAL QG 1 84 ARG HA . . 4.150 3.182 2.501 3.785 . 0 0 "[ . 1 . 2]" 1
1728 1 14 VAL QG 1 85 ALA H . . 4.630 3.446 2.733 4.190 . 0 0 "[ . 1 . 2]" 1
1729 1 14 VAL QG 1 95 SER QB . . 3.660 2.826 1.781 3.345 . 0 0 "[ . 1 . 2]" 1
1730 1 15 VAL H 1 15 VAL QG . . 3.260 2.016 1.848 2.834 . 0 0 "[ . 1 . 2]" 1
1731 1 15 VAL H 1 16 VAL QG . . 4.200 3.007 2.822 3.250 . 0 0 "[ . 1 . 2]" 1
1732 1 15 VAL HA 1 15 VAL QG . . 2.780 2.234 2.041 2.367 . 0 0 "[ . 1 . 2]" 1
1733 1 15 VAL HB 1 16 VAL QG . . 5.040 4.545 3.852 4.903 . 0 0 "[ . 1 . 2]" 1
1734 1 15 VAL QG 1 16 VAL H . . 4.010 3.137 2.973 3.277 . 0 0 "[ . 1 . 2]" 1
1735 1 15 VAL QG 1 35 GLU QG . . 3.970 3.554 3.038 3.932 . 0 0 "[ . 1 . 2]" 1
1736 1 15 VAL QG 1 96 GLN QB . . 4.750 4.251 3.282 4.656 . 0 0 "[ . 1 . 2]" 1
1737 1 15 VAL QG 1 96 GLN QG . . 4.060 3.436 2.576 4.014 . 0 0 "[ . 1 . 2]" 1
1738 1 16 VAL H 1 16 VAL QG . . 3.480 2.208 1.729 2.762 . 0 0 "[ . 1 . 2]" 1
1739 1 16 VAL HB 1 32 GLN QG . . 3.710 2.959 1.893 3.747 0.037 19 0 "[ . 1 . 2]" 1
1740 1 16 VAL QG 1 17 ILE H . . 3.500 2.847 2.679 2.999 . 0 0 "[ . 1 . 2]" 1
1741 1 16 VAL QG 1 17 ILE HA . . 4.420 3.376 3.198 3.689 . 0 0 "[ . 1 . 2]" 1
1742 1 16 VAL QG 1 17 ILE HG12 . . 5.440 4.667 4.251 5.218 . 0 0 "[ . 1 . 2]" 1
1743 1 16 VAL QG 1 18 ARG H . . 4.600 4.373 3.957 4.569 . 0 0 "[ . 1 . 2]" 1
1744 1 16 VAL QG 1 18 ARG QB . . 5.280 4.633 4.347 4.791 . 0 0 "[ . 1 . 2]" 1
1745 1 16 VAL QG 1 18 ARG QG . . 3.700 3.031 2.832 3.133 . 0 0 "[ . 1 . 2]" 1
1746 1 16 VAL QG 1 18 ARG QD . . 4.090 3.504 2.858 4.090 . 0 0 "[ . 1 . 2]" 1
1747 1 16 VAL QG 1 31 TRP HA . . 4.360 2.840 2.465 3.528 . 0 0 "[ . 1 . 2]" 1
1748 1 16 VAL QG 1 32 GLN H . . 4.610 2.159 1.771 3.368 . 0 0 "[ . 1 . 2]" 1
1749 1 16 VAL QG 1 32 GLN QB . . 3.450 2.758 1.774 3.003 . 0 0 "[ . 1 . 2]" 1
1750 1 16 VAL QG 1 32 GLN QG . . 3.190 1.787 1.551 2.126 . 0 0 "[ . 1 . 2]" 1
1751 1 16 VAL QG 1 32 GLN QE . . 4.380 2.986 1.880 3.694 . 0 0 "[ . 1 . 2]" 1
1752 1 17 ILE HA 1 31 TRP QB . . 3.690 2.723 2.471 3.170 . 0 0 "[ . 1 . 2]" 1
1753 1 17 ILE HB 1 31 TRP QB . . 4.660 4.541 4.435 4.674 0.014 7 0 "[ . 1 . 2]" 1
1754 1 17 ILE MG 1 31 TRP QB . . 4.380 3.394 2.996 3.913 . 0 0 "[ . 1 . 2]" 1
1755 1 17 ILE MG 1 95 SER QB . . 5.140 4.712 4.329 4.952 . 0 0 "[ . 1 . 2]" 1
1756 1 17 ILE MG 1 98 MET QB . . 3.700 3.119 2.789 3.505 . 0 0 "[ . 1 . 2]" 1
1757 1 17 ILE MG 1 98 MET QG . . 3.960 3.431 2.923 3.886 . 0 0 "[ . 1 . 2]" 1
1758 1 17 ILE HG12 1 31 TRP QB . . 4.330 2.153 1.973 2.394 . 0 0 "[ . 1 . 2]" 1
1759 1 17 ILE HG13 1 31 TRP QB . . 4.420 2.934 2.645 3.166 . 0 0 "[ . 1 . 2]" 1
1760 1 17 ILE MD 1 31 TRP QB . . 4.140 3.472 3.077 3.647 . 0 0 "[ . 1 . 2]" 1
1761 1 17 ILE MD 1 95 SER QB . . 3.650 2.120 1.755 2.538 . 0 0 "[ . 1 . 2]" 1
1762 1 18 ARG H 1 18 ARG QB . . 3.470 2.818 2.720 3.232 . 0 0 "[ . 1 . 2]" 1
1763 1 18 ARG QB 1 18 ARG QD . . 2.980 2.109 2.039 2.366 . 0 0 "[ . 1 . 2]" 1
1764 1 18 ARG QB 1 30 LEU QB . . 3.430 2.301 2.034 3.101 . 0 0 "[ . 1 . 2]" 1
1765 1 18 ARG QB 1 30 LEU QD . . 3.760 3.372 2.795 3.692 . 0 0 "[ . 1 . 2]" 1
1766 1 18 ARG QG 1 19 GLN H . . 4.230 4.055 3.924 4.235 0.005 10 0 "[ . 1 . 2]" 1
1767 1 18 ARG QG 1 30 LEU QD . . 5.250 4.477 3.097 4.774 . 0 0 "[ . 1 . 2]" 1
1768 1 18 ARG QD 1 30 LEU QD . . 3.770 3.127 1.948 3.555 . 0 0 "[ . 1 . 2]" 1
1769 1 19 GLN H 1 19 GLN QG . . 4.210 4.014 3.967 4.104 . 0 0 "[ . 1 . 2]" 1
1770 1 19 GLN HA 1 27 VAL QG . . 4.370 4.155 3.974 4.358 . 0 0 "[ . 1 . 2]" 1
1771 1 19 GLN HB2 1 27 VAL QG . . 4.330 4.017 3.610 4.258 . 0 0 "[ . 1 . 2]" 1
1772 1 19 GLN HB3 1 27 VAL QG . . 5.190 4.919 4.577 5.122 . 0 0 "[ . 1 . 2]" 1
1773 1 19 GLN QG 1 21 ARG H . . 3.950 3.024 2.570 3.519 . 0 0 "[ . 1 . 2]" 1
1774 1 19 GLN QG 1 21 ARG HA . . 4.480 3.641 3.451 4.402 . 0 0 "[ . 1 . 2]" 1
1775 1 19 GLN QG 1 27 VAL QG . . 3.830 2.581 2.314 2.795 . 0 0 "[ . 1 . 2]" 1
1776 1 19 GLN QG 1 28 SER H . . 4.190 3.685 3.366 4.091 . 0 0 "[ . 1 . 2]" 1
1777 1 19 GLN QG 1 29 LEU MD2 . . 4.200 3.418 3.106 3.969 . 0 0 "[ . 1 . 2]" 1
1778 1 19 GLN QG 1 100 VAL MG1 . . 3.750 3.048 2.242 3.589 . 0 0 "[ . 1 . 2]" 1
1779 1 19 GLN QG 1 100 VAL MG2 . . 5.340 3.484 2.758 3.956 . 0 0 "[ . 1 . 2]" 1
1780 1 19 GLN QE 1 22 ALA MB . . 3.740 2.628 1.891 3.533 . 0 0 "[ . 1 . 2]" 1
1781 1 19 GLN QE 1 100 VAL MG1 . . 3.930 2.212 1.658 3.391 . 0 0 "[ . 1 . 2]" 1
1782 1 19 GLN QE 1 100 VAL MG2 . . 4.310 2.735 1.791 4.089 . 0 0 "[ . 1 . 2]" 1
1783 1 20 GLU H 1 20 GLU QG . . 4.010 2.973 2.808 3.377 . 0 0 "[ . 1 . 2]" 1
1784 1 20 GLU HA 1 20 GLU QG . . 3.250 2.412 2.095 2.718 . 0 0 "[ . 1 . 2]" 1
1785 1 20 GLU HA 1 30 LEU QD . . 4.260 3.873 3.610 4.249 . 0 0 "[ . 1 . 2]" 1
1786 1 20 GLU QB 1 21 ARG H . . 3.660 2.410 2.194 2.677 . 0 0 "[ . 1 . 2]" 1
1787 1 20 GLU QB 1 21 ARG QG . . 3.750 2.337 2.164 2.626 . 0 0 "[ . 1 . 2]" 1
1788 1 20 GLU QB 1 28 SER HB3 . . 3.450 2.408 1.991 2.853 . 0 0 "[ . 1 . 2]" 1
1789 1 20 GLU QB 1 30 LEU QD . . 3.680 3.462 3.332 3.636 . 0 0 "[ . 1 . 2]" 1
1790 1 20 GLU QG 1 21 ARG QG . . 4.720 4.275 4.106 4.459 . 0 0 "[ . 1 . 2]" 1
1791 1 20 GLU QG 1 30 LEU QD . . 2.940 1.919 1.830 2.194 . 0 0 "[ . 1 . 2]" 1
1792 1 22 ALA HA 1 27 VAL QG . . 3.780 2.355 1.754 2.805 . 0 0 "[ . 1 . 2]" 1
1793 1 22 ALA MB 1 23 GLY QA . . 4.320 3.996 3.719 4.126 . 0 0 "[ . 1 . 2]" 1
1794 1 22 ALA MB 1 27 VAL QG . . 3.160 2.447 2.049 2.855 . 0 0 "[ . 1 . 2]" 1
1795 1 23 GLY H 1 27 VAL QG . . 4.180 2.908 2.164 3.520 . 0 0 "[ . 1 . 2]" 1
1796 1 23 GLY QA 1 24 GLN QB . . 4.640 3.894 3.812 3.988 . 0 0 "[ . 1 . 2]" 1
1797 1 23 GLY QA 1 26 SER H . . 4.180 3.337 2.912 4.226 0.046 19 0 "[ . 1 . 2]" 1
1798 1 24 GLN H 1 24 GLN QG . . 4.410 3.643 2.894 3.977 . 0 0 "[ . 1 . 2]" 1
1799 1 24 GLN HA 1 24 GLN QG . . 3.050 2.277 2.109 2.400 . 0 0 "[ . 1 . 2]" 1
1800 1 24 GLN QG 1 25 THR MG . . 4.130 3.422 2.957 4.111 . 0 0 "[ . 1 . 2]" 1
1801 1 24 GLN QG 1 103 GLY H . . 4.560 3.824 3.326 4.125 . 0 0 "[ . 1 . 2]" 1
1802 1 24 GLN QG 1 103 GLY HA2 . . 4.610 4.325 3.910 4.616 0.006 12 0 "[ . 1 . 2]" 1
1803 1 24 GLN QG 1 105 PRO HA . . 4.030 3.573 3.174 3.874 . 0 0 "[ . 1 . 2]" 1
1804 1 26 SER H 1 26 SER QB . . 3.640 3.122 2.744 3.257 . 0 0 "[ . 1 . 2]" 1
1805 1 26 SER H 1 27 VAL QG . . 4.700 3.660 3.220 4.579 . 0 0 "[ . 1 . 2]" 1
1806 1 26 SER HA 1 27 VAL QG . . 4.670 3.477 3.152 3.706 . 0 0 "[ . 1 . 2]" 1
1807 1 26 SER HA 1 71 SER QB . . 4.590 4.035 3.535 4.450 . 0 0 "[ . 1 . 2]" 1
1808 1 26 SER QB 1 27 VAL H . . 3.450 2.656 2.162 3.043 . 0 0 "[ . 1 . 2]" 1
1809 1 26 SER QB 1 69 THR MG . . 3.130 2.632 2.408 2.806 . 0 0 "[ . 1 . 2]" 1
1810 1 26 SER QB 1 71 SER HA . . 3.300 2.786 2.014 3.288 . 0 0 "[ . 1 . 2]" 1
1811 1 26 SER QB 1 71 SER QB . . 4.100 3.148 2.740 3.809 . 0 0 "[ . 1 . 2]" 1
1812 1 27 VAL H 1 27 VAL QG . . 3.650 2.940 2.312 3.092 . 0 0 "[ . 1 . 2]" 1
1813 1 27 VAL QG 1 28 SER H . . 3.280 2.241 1.813 2.584 . 0 0 "[ . 1 . 2]" 1
1814 1 27 VAL QG 1 28 SER HA . . 4.700 3.629 3.296 3.811 . 0 0 "[ . 1 . 2]" 1
1815 1 27 VAL QG 1 29 LEU H . . 4.740 4.375 3.959 4.618 . 0 0 "[ . 1 . 2]" 1
1816 1 27 VAL QG 1 29 LEU HA . . 4.750 4.162 3.945 4.331 . 0 0 "[ . 1 . 2]" 1
1817 1 27 VAL QG 1 29 LEU HG . . 3.390 3.012 2.689 3.361 . 0 0 "[ . 1 . 2]" 1
1818 1 27 VAL QG 1 70 VAL HB . . 3.930 3.529 1.742 3.920 . 0 0 "[ . 1 . 2]" 1
1819 1 27 VAL QG 1 73 LEU MD1 . . 3.030 2.315 1.977 2.560 . 0 0 "[ . 1 . 2]" 1
1820 1 27 VAL QG 1 73 LEU MD2 . . 4.720 4.279 3.428 4.537 . 0 0 "[ . 1 . 2]" 1
1821 1 27 VAL QG 1 81 PHE QD . . 4.500 3.760 3.412 4.070 . 0 0 "[ . 1 . 2]" 1
1822 1 27 VAL QG 1 81 PHE QE . . 3.390 2.569 2.105 2.988 . 0 0 "[ . 1 . 2]" 1
1823 1 27 VAL QG 1 81 PHE HZ . . 3.300 2.496 1.849 3.000 . 0 0 "[ . 1 . 2]" 1
1824 1 27 VAL QG 1 98 MET ME . . 4.300 4.046 3.732 4.248 . 0 0 "[ . 1 . 2]" 1
1825 1 27 VAL QG 1 100 VAL HB . . 3.500 3.285 2.870 3.514 0.014 17 0 "[ . 1 . 2]" 1
1826 1 27 VAL QG 1 100 VAL MG1 . . 2.880 2.077 1.828 2.288 . 0 0 "[ . 1 . 2]" 1
1827 1 27 VAL QG 1 100 VAL MG2 . . 3.560 3.232 2.917 3.454 . 0 0 "[ . 1 . 2]" 1
1828 1 27 VAL QG 1 102 THR HA . . 4.280 3.343 2.766 3.996 . 0 0 "[ . 1 . 2]" 1
1829 1 27 VAL QG 1 102 THR MG . . 3.070 2.242 1.884 3.067 . 0 0 "[ . 1 . 2]" 1
1830 1 29 LEU MD2 1 98 MET QG . . 4.590 3.615 2.534 4.132 . 0 0 "[ . 1 . 2]" 1
1831 1 30 LEU H 1 30 LEU QD . . 4.010 3.781 3.602 4.003 . 0 0 "[ . 1 . 2]" 1
1832 1 30 LEU QD 1 31 TRP H . . 3.870 3.027 2.418 3.494 . 0 0 "[ . 1 . 2]" 1
1833 1 30 LEU QD 1 67 ARG HA . . 4.260 2.722 2.419 3.167 . 0 0 "[ . 1 . 2]" 1
1834 1 30 LEU QD 1 67 ARG QB . . 3.450 2.842 2.555 3.319 . 0 0 "[ . 1 . 2]" 1
1835 1 30 LEU QD 1 67 ARG QG . . 3.480 1.836 1.757 1.954 . 0 0 "[ . 1 . 2]" 1
1836 1 30 LEU QD 1 67 ARG QD . . 3.400 2.876 2.364 3.357 . 0 0 "[ . 1 . 2]" 1
1837 1 31 TRP QB 1 32 GLN H . . 3.720 2.876 2.220 3.192 . 0 0 "[ . 1 . 2]" 1
1838 1 32 GLN H 1 32 GLN QB . . 3.440 2.580 2.155 2.974 . 0 0 "[ . 1 . 2]" 1
1839 1 32 GLN H 1 32 GLN QG . . 3.890 2.458 2.032 3.394 . 0 0 "[ . 1 . 2]" 1
1840 1 32 GLN HA 1 32 GLN QG . . 3.420 3.231 2.252 3.414 . 0 0 "[ . 1 . 2]" 1
1841 1 32 GLN QB 1 33 GLU H . . 3.680 2.496 2.156 3.266 . 0 0 "[ . 1 . 2]" 1
1842 1 32 GLN QG 1 33 GLU H . . 4.020 3.398 3.049 3.878 . 0 0 "[ . 1 . 2]" 1
1843 1 33 GLU H 1 33 GLU QG . . 3.800 3.024 2.783 3.518 . 0 0 "[ . 1 . 2]" 1
1844 1 33 GLU HA 1 33 GLU QG . . 3.380 2.217 2.114 2.284 . 0 0 "[ . 1 . 2]" 1
1845 1 33 GLU HA 1 34 PRO QG . . 4.100 3.932 3.852 4.072 . 0 0 "[ . 1 . 2]" 1
1846 1 33 GLU QG 1 34 PRO QD . . 3.500 2.512 1.960 2.736 . 0 0 "[ . 1 . 2]" 1
1847 1 33 GLU QG 1 41 ILE MD . . 3.920 3.220 2.251 3.784 . 0 0 "[ . 1 . 2]" 1
1848 1 33 GLU QG 1 44 TYR HH . . 4.790 2.454 1.949 3.062 . 0 0 "[ . 1 . 2]" 1
1849 1 33 GLU QG 1 66 THR MG . . 3.570 2.999 2.413 3.563 . 0 0 "[ . 1 . 2]" 1
1850 1 34 PRO HA 1 35 GLU QB . . 5.340 4.589 4.357 4.778 . 0 0 "[ . 1 . 2]" 1
1851 1 34 PRO HA 1 35 GLU QG . . 4.250 3.878 3.169 4.125 . 0 0 "[ . 1 . 2]" 1
1852 1 34 PRO QB 1 35 GLU H . . 4.050 2.823 1.907 3.432 . 0 0 "[ . 1 . 2]" 1
1853 1 34 PRO QB 1 37 PRO HA . . 4.160 3.704 3.124 4.098 . 0 0 "[ . 1 . 2]" 1
1854 1 34 PRO QB 1 41 ILE MD . . 4.700 4.060 3.323 4.309 . 0 0 "[ . 1 . 2]" 1
1855 1 34 PRO QG 1 37 PRO HA . . 4.650 2.672 2.220 3.942 . 0 0 "[ . 1 . 2]" 1
1856 1 34 PRO QG 1 41 ILE MD . . 3.260 2.389 1.784 2.656 . 0 0 "[ . 1 . 2]" 1
1857 1 34 PRO QG 1 85 ALA MB . . 3.510 2.818 2.399 3.015 . 0 0 "[ . 1 . 2]" 1
1858 1 35 GLU H 1 35 GLU QB . . 3.250 2.598 2.403 3.203 . 0 0 "[ . 1 . 2]" 1
1859 1 35 GLU H 1 35 GLU QG . . 3.390 2.164 1.979 2.337 . 0 0 "[ . 1 . 2]" 1
1860 1 35 GLU HA 1 35 GLU QG . . 3.240 2.456 2.260 3.320 0.080 19 0 "[ . 1 . 2]" 1
1861 1 35 GLU HA 1 36 GLN QG . . 5.340 4.372 3.790 5.140 . 0 0 "[ . 1 . 2]" 1
1862 1 35 GLU QB 1 36 GLN H . . 3.660 2.362 1.989 3.383 . 0 0 "[ . 1 . 2]" 1
1863 1 36 GLN H 1 36 GLN QB . . 3.680 2.651 2.443 3.408 . 0 0 "[ . 1 . 2]" 1
1864 1 36 GLN HA 1 36 GLN QG . . 3.350 2.362 2.148 3.328 . 0 0 "[ . 1 . 2]" 1
1865 1 36 GLN QB 1 37 PRO QD . . 4.290 3.441 3.288 3.786 . 0 0 "[ . 1 . 2]" 1
1866 1 36 GLN QB 1 38 ASN QD . . 4.190 3.308 2.384 3.836 . 0 0 "[ . 1 . 2]" 1
1867 1 37 PRO HB2 1 41 ILE QG . . 4.370 2.806 2.439 3.239 . 0 0 "[ . 1 . 2]" 1
1868 1 37 PRO HB3 1 41 ILE QG . . 3.910 3.178 2.836 3.386 . 0 0 "[ . 1 . 2]" 1
1869 1 37 PRO QD 1 38 ASN H . . 3.870 2.673 2.603 3.008 . 0 0 "[ . 1 . 2]" 1
1870 1 39 GLY HA2 1 40 ILE QG . . 4.670 4.216 3.633 4.566 . 0 0 "[ . 1 . 2]" 1
1871 1 40 ILE H 1 40 ILE QG . . 3.510 3.078 2.817 3.290 . 0 0 "[ . 1 . 2]" 1
1872 1 40 ILE HA 1 40 ILE QG . . 3.140 2.330 2.169 2.695 . 0 0 "[ . 1 . 2]" 1
1873 1 40 ILE HA 1 41 ILE QG . . 4.610 3.663 3.547 3.889 . 0 0 "[ . 1 . 2]" 1
1874 1 40 ILE QG 1 40 ILE MG . . 2.690 2.041 1.944 2.349 . 0 0 "[ . 1 . 2]" 1
1875 1 40 ILE QG 1 41 ILE H . . 4.320 4.103 3.908 4.404 0.084 15 0 "[ . 1 . 2]" 1
1876 1 41 ILE H 1 41 ILE QG . . 3.590 2.484 2.194 2.734 . 0 0 "[ . 1 . 2]" 1
1877 1 41 ILE QG 1 41 ILE MG . . 3.280 2.158 2.024 2.278 . 0 0 "[ . 1 . 2]" 1
1878 1 41 ILE QG 1 87 THR MG . . 3.580 2.238 1.845 2.514 . 0 0 "[ . 1 . 2]" 1
1879 1 42 LEU H 1 42 LEU QB . . 3.570 2.542 2.447 2.605 . 0 0 "[ . 1 . 2]" 1
1880 1 42 LEU QB 1 42 LEU MD2 . . 2.870 2.161 2.001 2.311 . 0 0 "[ . 1 . 2]" 1
1881 1 42 LEU QB 1 43 GLU H . . 3.540 2.162 1.975 2.326 . 0 0 "[ . 1 . 2]" 1
1882 1 42 LEU QB 1 43 GLU QG . . 3.760 2.769 2.501 3.331 . 0 0 "[ . 1 . 2]" 1
1883 1 42 LEU HG 1 88 SER QB . . 4.760 3.872 3.391 4.539 . 0 0 "[ . 1 . 2]" 1
1884 1 42 LEU MD1 1 86 ARG QG . . 4.180 2.897 1.984 3.881 . 0 0 "[ . 1 . 2]" 1
1885 1 42 LEU MD1 1 88 SER QB . . 3.400 2.994 2.669 3.347 . 0 0 "[ . 1 . 2]" 1
1886 1 42 LEU MD2 1 88 SER QB . . 4.070 3.146 2.532 3.759 . 0 0 "[ . 1 . 2]" 1
1887 1 43 GLU H 1 43 GLU QG . . 3.910 2.502 2.281 2.831 . 0 0 "[ . 1 . 2]" 1
1888 1 43 GLU H 1 86 ARG QB . . 4.750 3.435 2.620 4.340 . 0 0 "[ . 1 . 2]" 1
1889 1 43 GLU QB 1 44 TYR H . . 3.320 2.391 2.172 2.587 . 0 0 "[ . 1 . 2]" 1
1890 1 43 GLU QB 1 63 ALA H . . 4.670 3.130 2.536 3.668 . 0 0 "[ . 1 . 2]" 1
1891 1 43 GLU QB 1 64 VAL MG1 . . 3.470 2.843 2.704 3.068 . 0 0 "[ . 1 . 2]" 1
1892 1 43 GLU QG 1 44 TYR H . . 4.170 3.619 3.242 4.027 . 0 0 "[ . 1 . 2]" 1
1893 1 43 GLU QG 1 63 ALA H . . 4.840 4.112 3.747 4.454 . 0 0 "[ . 1 . 2]" 1
1894 1 43 GLU QG 1 64 VAL MG1 . . 4.840 4.554 4.122 4.837 . 0 0 "[ . 1 . 2]" 1
1895 1 43 GLU QG 1 86 ARG QB . . 4.250 3.413 2.658 4.128 . 0 0 "[ . 1 . 2]" 1
1896 1 45 GLU H 1 45 GLU QG . . 4.240 3.812 2.974 4.134 . 0 0 "[ . 1 . 2]" 1
1897 1 45 GLU HA 1 62 LYS QD . . 4.390 3.639 3.019 4.140 . 0 0 "[ . 1 . 2]" 1
1898 1 45 GLU QB 1 60 THR MG . . 4.020 3.228 2.121 3.958 . 0 0 "[ . 1 . 2]" 1
1899 1 45 GLU QB 1 62 LYS QG . . 5.180 4.500 3.699 4.975 . 0 0 "[ . 1 . 2]" 1
1900 1 45 GLU QB 1 84 ARG H . . 5.080 3.886 3.587 4.236 . 0 0 "[ . 1 . 2]" 1
1901 1 45 GLU QB 1 84 ARG QG . . 3.440 2.120 1.902 2.643 . 0 0 "[ . 1 . 2]" 1
1902 1 45 GLU QB 1 84 ARG HE . . 3.910 2.634 1.856 4.003 0.093 3 0 "[ . 1 . 2]" 1
1903 1 45 GLU QG 1 46 ILE H . . 4.020 3.115 2.495 4.076 0.056 7 0 "[ . 1 . 2]" 1
1904 1 45 GLU QG 1 60 THR MG . . 3.610 2.257 1.677 3.100 . 0 0 "[ . 1 . 2]" 1
1905 1 45 GLU QG 1 62 LYS QG . . 4.490 3.238 2.351 4.362 . 0 0 "[ . 1 . 2]" 1
1906 1 45 GLU QG 1 62 LYS QE . . 4.030 3.092 2.010 3.993 . 0 0 "[ . 1 . 2]" 1
1907 1 47 LYS H 1 47 LYS QB . . 3.550 2.334 2.274 2.484 . 0 0 "[ . 1 . 2]" 1
1908 1 47 LYS QB 1 47 LYS QD . . 3.320 2.106 2.062 2.137 . 0 0 "[ . 1 . 2]" 1
1909 1 47 LYS QB 1 94 PHE QD . . 4.720 3.692 3.329 4.244 . 0 0 "[ . 1 . 2]" 1
1910 1 47 LYS QB 1 94 PHE QE . . 3.900 2.715 2.281 3.173 . 0 0 "[ . 1 . 2]" 1
1911 1 47 LYS QB 1 94 PHE HZ . . 3.830 2.516 1.950 3.137 . 0 0 "[ . 1 . 2]" 1
1912 1 47 LYS QE 1 47 LYS HG2 . . 3.460 2.279 2.119 2.476 . 0 0 "[ . 1 . 2]" 1
1913 1 47 LYS HG2 1 58 TYR QB . . 4.580 3.550 2.857 4.076 . 0 0 "[ . 1 . 2]" 1
1914 1 47 LYS QE 1 47 LYS HG3 . . 3.710 2.627 2.422 3.069 . 0 0 "[ . 1 . 2]" 1
1915 1 47 LYS HG3 1 58 TYR QB . . 4.340 2.733 2.145 3.246 . 0 0 "[ . 1 . 2]" 1
1916 1 47 LYS QD 1 49 TYR QD . . 4.880 3.923 3.061 4.180 . 0 0 "[ . 1 . 2]" 1
1917 1 47 LYS QD 1 49 TYR QE . . 4.520 4.287 3.201 4.525 0.005 17 0 "[ . 1 . 2]" 1
1918 1 47 LYS QD 1 58 TYR QB . . 4.760 3.679 3.024 4.333 . 0 0 "[ . 1 . 2]" 1
1919 1 47 LYS QD 1 58 TYR QD . . 4.810 3.155 2.483 3.965 . 0 0 "[ . 1 . 2]" 1
1920 1 47 LYS QD 1 58 TYR QE . . 4.190 3.420 2.820 4.114 . 0 0 "[ . 1 . 2]" 1
1921 1 47 LYS QD 1 94 PHE QE . . 4.270 2.997 2.205 3.654 . 0 0 "[ . 1 . 2]" 1
1922 1 47 LYS QE 1 49 TYR QD . . 3.820 2.104 1.872 2.592 . 0 0 "[ . 1 . 2]" 1
1923 1 47 LYS QE 1 49 TYR QE . . 3.800 2.618 1.981 3.249 . 0 0 "[ . 1 . 2]" 1
1924 1 47 LYS QE 1 58 TYR QD . . 4.420 3.376 2.452 4.172 . 0 0 "[ . 1 . 2]" 1
1925 1 48 TYR QD 1 59 SER QB . . 4.500 3.318 2.831 4.102 . 0 0 "[ . 1 . 2]" 1
1926 1 48 TYR QE 1 59 SER QB . . 3.610 2.613 2.163 3.330 . 0 0 "[ . 1 . 2]" 1
1927 1 49 TYR HB2 1 54 GLU QG . . 5.340 4.661 4.123 5.302 . 0 0 "[ . 1 . 2]" 1
1928 1 49 TYR HB3 1 58 TYR QB . . 3.440 2.594 1.996 3.009 . 0 0 "[ . 1 . 2]" 1
1929 1 49 TYR QD 1 54 GLU QG . . 4.360 3.312 2.740 3.851 . 0 0 "[ . 1 . 2]" 1
1930 1 49 TYR QD 1 58 TYR QB . . 3.690 3.218 2.246 3.631 . 0 0 "[ . 1 . 2]" 1
1931 1 49 TYR QE 1 54 GLU QG . . 4.810 2.423 1.976 3.244 . 0 0 "[ . 1 . 2]" 1
1932 1 50 GLU HB2 1 53 LYS QG . . 4.130 3.623 2.518 4.084 . 0 0 "[ . 1 . 2]" 1
1933 1 50 GLU HB3 1 53 LYS QB . . 4.100 2.173 1.960 2.799 . 0 0 "[ . 1 . 2]" 1
1934 1 50 GLU HB3 1 53 LYS QG . . 3.660 2.877 1.997 3.166 . 0 0 "[ . 1 . 2]" 1
1935 1 50 GLU HB3 1 53 LYS QD . . 5.290 4.634 3.924 4.912 . 0 0 "[ . 1 . 2]" 1
1936 1 51 LYS HD3 1 78 ARG QD . . 3.990 3.771 3.522 3.947 . 0 0 "[ . 1 . 2]" 1
1937 1 52 ASP QB 1 53 LYS QG . . 4.750 2.795 2.437 3.336 . 0 0 "[ . 1 . 2]" 1
1938 1 53 LYS H 1 53 LYS QB . . 3.680 2.552 2.307 2.834 . 0 0 "[ . 1 . 2]" 1
1939 1 53 LYS HA 1 53 LYS QG . . 3.170 2.896 2.620 3.069 . 0 0 "[ . 1 . 2]" 1
1940 1 53 LYS HA 1 53 LYS QD . . 3.270 2.223 2.020 2.476 . 0 0 "[ . 1 . 2]" 1
1941 1 53 LYS QB 1 53 LYS QD . . 3.090 2.332 2.214 2.619 . 0 0 "[ . 1 . 2]" 1
1942 1 53 LYS QB 1 53 LYS QE . . 3.990 3.186 2.175 3.791 . 0 0 "[ . 1 . 2]" 1
1943 1 53 LYS QE 1 53 LYS QG . . 2.870 2.174 2.057 2.444 . 0 0 "[ . 1 . 2]" 1
1944 1 54 GLU QG 1 55 MET H . . 4.350 3.771 2.188 4.387 0.037 6 0 "[ . 1 . 2]" 1
1945 1 55 MET H 1 55 MET QB . . 3.490 2.583 2.234 3.176 . 0 0 "[ . 1 . 2]" 1
1946 1 55 MET H 1 55 MET QG . . 3.890 2.803 1.986 3.687 . 0 0 "[ . 1 . 2]" 1
1947 1 55 MET HA 1 55 MET QG . . 3.690 2.920 2.217 3.460 . 0 0 "[ . 1 . 2]" 1
1948 1 55 MET QB 1 56 GLN H . . 4.150 2.821 2.042 3.791 . 0 0 "[ . 1 . 2]" 1
1949 1 55 MET ME 1 55 MET QG . . 3.330 2.188 1.975 2.486 . 0 0 "[ . 1 . 2]" 1
1950 1 56 GLN QB 1 57 SER H . . 4.040 2.353 1.989 2.631 . 0 0 "[ . 1 . 2]" 1
1951 1 56 GLN QB 1 57 SER QB . . 4.310 3.724 3.412 4.216 . 0 0 "[ . 1 . 2]" 1
1952 1 57 SER QB 1 58 TYR H . . 4.250 3.603 3.216 3.960 . 0 0 "[ . 1 . 2]" 1
1953 1 58 TYR QB 1 59 SER H . . 3.510 2.738 2.604 3.079 . 0 0 "[ . 1 . 2]" 1
1954 1 59 SER H 1 59 SER QB . . 3.670 2.441 2.314 2.685 . 0 0 "[ . 1 . 2]" 1
1955 1 59 SER QB 1 60 THR H . . 3.320 3.078 2.672 3.307 . 0 0 "[ . 1 . 2]" 1
1956 1 61 LEU HA 1 62 LYS QG . . 5.310 4.452 3.642 5.025 . 0 0 "[ . 1 . 2]" 1
1957 1 61 LEU MD1 1 62 LYS QB . . 4.940 4.371 3.989 4.812 . 0 0 "[ . 1 . 2]" 1
1958 1 61 LEU MD1 1 71 SER QB . . 5.330 4.980 4.260 5.307 . 0 0 "[ . 1 . 2]" 1
1959 1 62 LYS H 1 62 LYS QB . . 3.020 2.359 2.239 2.496 . 0 0 "[ . 1 . 2]" 1
1960 1 62 LYS H 1 62 LYS QG . . 3.670 3.312 2.497 3.697 0.027 5 0 "[ . 1 . 2]" 1
1961 1 62 LYS H 1 62 LYS QD . . 4.610 3.231 2.074 4.512 . 0 0 "[ . 1 . 2]" 1
1962 1 62 LYS HA 1 62 LYS QG . . 3.540 2.463 2.237 2.770 . 0 0 "[ . 1 . 2]" 1
1963 1 62 LYS HA 1 62 LYS QD . . 3.660 2.627 2.182 3.012 . 0 0 "[ . 1 . 2]" 1
1964 1 62 LYS QB 1 62 LYS QD . . 3.220 2.194 2.078 2.298 . 0 0 "[ . 1 . 2]" 1
1965 1 62 LYS QB 1 62 LYS QE . . 4.510 3.658 3.423 3.787 . 0 0 "[ . 1 . 2]" 1
1966 1 62 LYS QB 1 63 ALA H . . 3.930 3.162 2.855 3.438 . 0 0 "[ . 1 . 2]" 1
1967 1 62 LYS QE 1 62 LYS QG . . 3.280 2.218 2.013 2.379 . 0 0 "[ . 1 . 2]" 1
1968 1 62 LYS QG 1 63 ALA H . . 4.530 4.130 3.579 4.534 0.004 11 0 "[ . 1 . 2]" 1
1969 1 62 LYS QD 1 63 ALA H . . 5.230 4.194 3.441 4.884 . 0 0 "[ . 1 . 2]" 1
1970 1 67 ARG H 1 67 ARG QB . . 3.510 2.729 2.394 2.930 . 0 0 "[ . 1 . 2]" 1
1971 1 67 ARG H 1 67 ARG QG . . 3.940 2.845 2.418 3.567 . 0 0 "[ . 1 . 2]" 1
1972 1 67 ARG QB 1 68 ALA H . . 3.400 3.215 2.908 3.346 . 0 0 "[ . 1 . 2]" 1
1973 1 67 ARG QG 1 68 ALA H . . 4.710 4.286 3.912 4.458 . 0 0 "[ . 1 . 2]" 1
1974 1 69 THR MG 1 71 SER QB . . 4.080 3.470 2.703 4.045 . 0 0 "[ . 1 . 2]" 1
1975 1 71 SER H 1 71 SER QB . . 3.320 2.485 2.296 2.817 . 0 0 "[ . 1 . 2]" 1
1976 1 71 SER QB 1 72 GLY H . . 3.380 2.917 2.455 3.405 0.025 12 0 "[ . 1 . 2]" 1
1977 1 74 LYS H 1 74 LYS QD . . 4.350 3.851 3.509 4.338 . 0 0 "[ . 1 . 2]" 1
1978 1 74 LYS HA 1 74 LYS QD . . 4.360 4.080 4.028 4.141 . 0 0 "[ . 1 . 2]" 1
1979 1 74 LYS QB 1 74 LYS QD . . 3.430 2.158 2.077 2.249 . 0 0 "[ . 1 . 2]" 1
1980 1 74 LYS QD 1 77 THR MG . . 4.080 3.616 2.996 3.988 . 0 0 "[ . 1 . 2]" 1
1981 1 76 GLY QA 1 101 GLU HG2 . . 4.440 3.468 3.119 3.773 . 0 0 "[ . 1 . 2]" 1
1982 1 76 GLY QA 1 102 THR HG1 . . 4.700 4.103 3.642 4.399 . 0 0 "[ . 1 . 2]" 1
1983 1 76 GLY QA 1 104 LYS HA . . 3.020 2.541 2.256 2.731 . 0 0 "[ . 1 . 2]" 1
1984 1 76 GLY QA 1 104 LYS HB3 . . 4.100 3.914 3.629 4.090 . 0 0 "[ . 1 . 2]" 1
1985 1 76 GLY QA 1 104 LYS QG . . 3.450 2.086 1.792 2.589 . 0 0 "[ . 1 . 2]" 1
1986 1 76 GLY QA 1 104 LYS QE . . 3.950 3.320 2.150 3.919 . 0 0 "[ . 1 . 2]" 1
1987 1 78 ARG H 1 78 ARG QG . . 3.640 2.845 2.744 2.908 . 0 0 "[ . 1 . 2]" 1
1988 1 78 ARG H 1 78 ARG QD . . 4.570 4.255 4.116 4.374 . 0 0 "[ . 1 . 2]" 1
1989 1 78 ARG HB2 1 78 ARG QD . . 3.380 2.532 2.363 2.659 . 0 0 "[ . 1 . 2]" 1
1990 1 78 ARG HB3 1 78 ARG QD . . 3.310 2.292 2.231 2.395 . 0 0 "[ . 1 . 2]" 1
1991 1 78 ARG QG 1 79 TYR H . . 4.080 3.447 3.368 3.513 . 0 0 "[ . 1 . 2]" 1
1992 1 78 ARG QG 1 101 GLU HA . . 4.130 2.960 2.538 3.386 . 0 0 "[ . 1 . 2]" 1
1993 1 78 ARG QG 1 101 GLU HB2 . . 3.910 2.504 2.209 2.815 . 0 0 "[ . 1 . 2]" 1
1994 1 78 ARG QG 1 101 GLU HB3 . . 4.270 3.928 3.659 4.214 . 0 0 "[ . 1 . 2]" 1
1995 1 78 ARG QD 1 79 TYR H . . 4.680 4.328 4.003 4.601 . 0 0 "[ . 1 . 2]" 1
1996 1 79 TYR H 1 79 TYR QB . . 3.570 2.551 2.479 2.682 . 0 0 "[ . 1 . 2]" 1
1997 1 79 TYR QB 1 80 VAL H . . 3.580 2.972 2.537 3.234 . 0 0 "[ . 1 . 2]" 1
1998 1 79 TYR QB 1 81 PHE QD . . 4.560 3.848 3.659 4.031 . 0 0 "[ . 1 . 2]" 1
1999 1 79 TYR QB 1 81 PHE QE . . 3.480 2.913 2.516 3.216 . 0 0 "[ . 1 . 2]" 1
2000 1 80 VAL MG1 1 82 GLN QG . . 3.530 2.628 2.440 2.783 . 0 0 "[ . 1 . 2]" 1
2001 1 81 PHE HB2 1 98 MET QB . . 4.120 2.588 2.193 2.982 . 0 0 "[ . 1 . 2]" 1
2002 1 81 PHE HB3 1 98 MET QB . . 4.760 3.890 3.427 4.402 . 0 0 "[ . 1 . 2]" 1
2003 1 81 PHE QD 1 98 MET QG . . 5.340 3.227 2.624 3.650 . 0 0 "[ . 1 . 2]" 1
2004 1 82 GLN H 1 82 GLN QG . . 4.420 3.519 3.321 3.626 . 0 0 "[ . 1 . 2]" 1
2005 1 82 GLN HA 1 82 GLN QG . . 3.370 2.316 2.163 2.736 . 0 0 "[ . 1 . 2]" 1
2006 1 82 GLN QG 1 97 ALA HA . . 3.430 2.628 2.326 3.070 . 0 0 "[ . 1 . 2]" 1
2007 1 82 GLN QG 1 98 MET H . . 4.430 3.072 2.793 3.462 . 0 0 "[ . 1 . 2]" 1
2008 1 82 GLN QE 1 94 PHE HB3 . . 4.340 2.822 2.191 3.740 . 0 0 "[ . 1 . 2]" 1
2009 1 82 GLN QE 1 96 GLN HA . . 4.320 3.558 2.569 4.288 . 0 0 "[ . 1 . 2]" 1
2010 1 82 GLN QE 1 97 ALA MB . . 4.020 3.224 2.605 3.784 . 0 0 "[ . 1 . 2]" 1
2011 1 83 VAL H 1 95 SER QB . . 4.310 2.969 2.329 3.419 . 0 0 "[ . 1 . 2]" 1
2012 1 83 VAL HB 1 95 SER QB . . 4.980 3.159 2.481 3.691 . 0 0 "[ . 1 . 2]" 1
2013 1 84 ARG H 1 84 ARG QG . . 3.800 2.527 2.271 2.792 . 0 0 "[ . 1 . 2]" 1
2014 1 84 ARG QB 1 94 PHE HA . . 3.550 2.051 1.949 2.512 . 0 0 "[ . 1 . 2]" 1
2015 1 84 ARG QB 1 94 PHE QD . . 4.560 2.484 2.119 2.952 . 0 0 "[ . 1 . 2]" 1
2016 1 84 ARG QG 1 94 PHE QE . . 4.390 2.498 2.045 3.692 . 0 0 "[ . 1 . 2]" 1
2017 1 84 ARG QG 1 94 PHE HZ . . 5.340 3.725 2.620 5.088 . 0 0 "[ . 1 . 2]" 1
2018 1 84 ARG QD 1 94 PHE QD . . 5.030 3.587 2.738 4.795 . 0 0 "[ . 1 . 2]" 1
2019 1 84 ARG QD 1 94 PHE QE . . 4.850 3.125 2.024 4.223 . 0 0 "[ . 1 . 2]" 1
2020 1 86 ARG HA 1 86 ARG QG . . 3.740 2.605 2.386 3.278 . 0 0 "[ . 1 . 2]" 1
2021 1 86 ARG QB 1 86 ARG QD . . 3.310 2.147 2.037 2.368 . 0 0 "[ . 1 . 2]" 1
2022 1 86 ARG QB 1 87 THR H . . 4.020 3.720 2.925 3.925 . 0 0 "[ . 1 . 2]" 1
2023 1 89 ALA MB 1 90 GLY QA . . 4.350 3.438 3.354 3.519 . 0 0 "[ . 1 . 2]" 1
2024 1 92 GLY QA 1 93 ARG QG . . 4.640 3.687 3.204 3.954 . 0 0 "[ . 1 . 2]" 1
2025 1 93 ARG H 1 93 ARG QB . . 3.360 2.419 2.210 2.712 . 0 0 "[ . 1 . 2]" 1
2026 1 95 SER QB 1 96 GLN H . . 3.550 2.532 2.068 3.194 . 0 0 "[ . 1 . 2]" 1
2027 1 97 ALA HA 1 98 MET QB . . 5.340 4.153 4.104 4.193 . 0 0 "[ . 1 . 2]" 1
2028 1 98 MET H 1 98 MET QG . . 4.180 3.955 3.911 4.015 . 0 0 "[ . 1 . 2]" 1
2029 1 98 MET QB 1 98 MET ME . . 3.530 3.368 2.770 3.538 0.008 19 0 "[ . 1 . 2]" 1
2030 1 98 MET QB 1 99 GLU H . . 3.840 3.618 3.384 3.809 . 0 0 "[ . 1 . 2]" 1
2031 1 98 MET QB 1 100 VAL MG2 . . 4.890 3.882 3.697 4.041 . 0 0 "[ . 1 . 2]" 1
2032 1 98 MET ME 1 98 MET QG . . 3.030 2.109 1.983 2.226 . 0 0 "[ . 1 . 2]" 1
2033 1 98 MET QG 1 100 VAL MG2 . . 3.200 2.199 2.084 2.333 . 0 0 "[ . 1 . 2]" 1
2034 1 104 LYS H 1 104 LYS QG . . 3.360 2.716 2.388 3.397 0.037 3 0 "[ . 1 . 2]" 1
2035 1 104 LYS HA 1 104 LYS QG . . 3.450 2.285 2.121 2.571 . 0 0 "[ . 1 . 2]" 1
2036 1 104 LYS QG 1 105 PRO HD2 . . 4.380 3.006 2.461 3.795 . 0 0 "[ . 1 . 2]" 1
2037 1 106 SER HA 1 107 GLY QA . . 4.450 4.061 3.889 4.259 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 231.597
_Distance_constraint_stats_list.Viol_max 0.638
_Distance_constraint_stats_list.Viol_rms 0.1020
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5790
_Distance_constraint_stats_list.Viol_average_violations_only 0.5790
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 96 GLN 11.580 0.638 2 17 "[*+*****-***** * ***2]"
1 97 ALA 11.580 0.638 2 17 "[*+*****-***** * ***2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 96 GLN H 1 97 ALA H . . 4.000 4.579 4.329 4.638 0.638 2 17 "[*+*****-***** * ***2]" 2
stop_
save_
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